 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer02_STD_wB97XD_augccpVDZ.in
 Output=22_phenylethanamine_conformer02_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-220756.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    220757.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer02_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer02_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.772654000000      1.254975000000      0.322747000000
  C                                                 0.398664000000      1.096214000000      0.195259000000
  C                                                -0.142652000000     -0.142756000000     -0.146542000000
  C                                                 0.720678000000     -1.214760000000     -0.360157000000
  C                                                 2.095925000000     -1.060117000000     -0.230036000000
  C                                                 2.626396000000      0.177369000000      0.112866000000
  C                                                -1.641706000000     -0.341888000000     -0.237223000000
  N                                                -2.275754000000      0.831618000000     -0.845752000000
  C                                                -2.248939000000     -0.563784000000      1.149323000000
  H                                                -3.279530000000      0.704813000000     -0.898651000000
  H                                                -1.809734000000     -1.256656000000     -0.824262000000
  H                                                -2.083473000000      0.313962000000      1.775341000000
  H                                                -1.795695000000     -1.428876000000      1.633948000000
  H                                                -3.325560000000     -0.738248000000      1.075630000000
  H                                                 0.311141000000     -2.180305000000     -0.634440000000
  H                                                 2.752158000000     -1.903833000000     -0.402347000000
  H                                                 3.697081000000      0.302924000000      0.210779000000
  H                                                 2.179271000000      2.223269000000      0.586598000000
  H                                                -0.268537000000      1.933636000000      0.348722000000
  H                                                -1.932969000000      0.976467000000     -1.788479000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.388995   0.000000
     3  C    2.417081   1.394596   0.000000
     4  C    2.769946   2.398496   1.392897   0.000000
     5  C    2.402025   2.776929   2.420692   1.390018   0.000000
     6  C    1.390741   2.411194   2.799536   2.406976   1.389371
     7  C    3.810694   2.533434   1.514939   2.521483   3.806020
     8  N    4.234882   2.882052   2.447126   3.660884   4.803056
     9  C    4.490470   3.267359   2.508580   3.394249   4.585501
    10  H    5.226763   3.857324   3.335273   4.469497   5.697152
    11  H    4.522988   3.384146   2.116422   2.572962   3.955490
    12  H    4.226730   3.044599   2.769298   3.841953   4.834976
    13  H    4.653538   3.641582   2.748964   3.217831   4.330719
    14  H    5.525537   4.243837   3.461101   4.319790   5.585773
    15  H    3.854008   3.381070   2.143730   1.084080   2.145651
    16  H    3.385743   3.859579   3.398051   2.145580   1.082677
    17  H    2.149967   3.392507   3.881992   3.389441   2.148464
    18  H    1.082843   2.143353   3.395128   3.852776   3.384444
    19  H    2.151213   1.081658   2.138349   3.375419   3.858523
    20  H    4.273931   3.063669   2.674669   3.726046   4.775815
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.313802   0.000000
     8  N    5.037665   1.466097   0.000000
     9  C    5.039091   1.529863   2.434787   0.000000
    10  H    6.015091   2.053177   1.013136   2.620239   0.000000
    11  H    4.755406   1.099840   2.139749   2.137290   2.452182
    12  H    4.996533   2.162339   2.678632   1.090741   2.955258
    13  H    4.944553   2.169455   3.389573   1.090264   3.628836
    14  H    6.098446   2.171647   2.694120   1.093152   2.445880
    15  H    3.387846   2.711304   3.975973   3.514109   4.613744
    16  H    2.147711   4.666152   5.741010   5.405033   6.590342
    17  H    1.082459   5.396215   6.088558   6.081710   7.075694
    18  H    2.147103   4.675316   4.882168   5.262449   5.857489
    19  H    3.394221   2.721568   2.582660   3.286345   3.483106
    20  H    5.004146   2.056524   1.013517   3.332100   1.636709
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.049543   0.000000
    13  H    2.464275   1.772087   0.000000
    14  H    2.485169   1.771869   1.768947   0.000000
    15  H    2.321049   4.214569   3.185748   4.269597   0.000000
    16  H    4.626847   5.748414   5.005502   6.362520   2.467563
    17  H    5.816237   5.988554   5.932548   7.151887   4.283154
    18  H    5.478372   4.819704   5.498678   6.270000   4.936832
    19  H    3.732177   2.820032   3.910307   4.124651   4.269326
    20  H    2.435516   3.627999   4.185394   3.616998   4.041416
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477616   0.000000
    18  H    4.282427   2.476431   0.000000
    19  H    4.941141   4.290032   2.476335   0.000000
    20  H    5.671676   6.012334   4.909789   2.873001   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.03D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.772654    1.254975    0.322747
      2          6           0        0.398664    1.096214    0.195259
      3          6           0       -0.142652   -0.142756   -0.146542
      4          6           0        0.720678   -1.214760   -0.360157
      5          6           0        2.095925   -1.060117   -0.230036
      6          6           0        2.626396    0.177369    0.112866
      7          6           0       -1.641706   -0.341888   -0.237223
      8          7           0       -2.275754    0.831618   -0.845752
      9          6           0       -2.248939   -0.563784    1.149323
     10          1           0       -3.279530    0.704813   -0.898651
     11          1           0       -1.809734   -1.256656   -0.824262
     12          1           0       -2.083473    0.313962    1.775341
     13          1           0       -1.795695   -1.428876    1.633948
     14          1           0       -3.325560   -0.738248    1.075630
     15          1           0        0.311141   -2.180305   -0.634440
     16          1           0        2.752158   -1.903833   -0.402347
     17          1           0        3.697081    0.302924    0.210779
     18          1           0        2.179271    2.223269    0.586598
     19          1           0       -0.268537    1.933636    0.348722
     20          1           0       -1.932969    0.976467   -1.788479
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4441865           1.1140904           0.9851179
 Leave Link  202 at Thu Aug 12 22:10:06 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.7450469049 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0113451372 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.7337017677 Hartrees.
 Leave Link  301 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:              10.0 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.74D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 22:10:08 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer02_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 22:10:09 2021, MaxMem=  5368709120 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.146313945547    
 DIIS: error= 1.70D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.146313945547     IErMin= 1 ErrMin= 1.70D-03
 ErrMax= 1.70D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-03 BMatP= 4.54D-03
 IDIUse=3 WtCom= 9.83D-01 WtEn= 1.70D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.06D-02 MaxDP=2.85D+00              OVMax= 1.51D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.12D-02    CP:  1.59D+00
 E= -366.150130299046     Delta-E=       -0.003816353499 Rises=F Damp=F
 DIIS: error= 2.13D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.150130299046     IErMin= 2 ErrMin= 2.13D-04
 ErrMax= 2.13D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.61D-05 BMatP= 4.54D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.13D-03
 Coeff-Com: -0.647D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.646D-01 0.106D+01
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.57D-03 MaxDP=5.02D-01 DE=-3.82D-03 OVMax= 5.35D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.54D-03    CP:  1.69D+00  1.17D+00
 E= -366.150256538805     Delta-E=       -0.000126239759 Rises=F Damp=F
 DIIS: error= 9.71D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.150256538805     IErMin= 3 ErrMin= 9.71D-05
 ErrMax= 9.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.35D-06 BMatP= 5.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.183D-01 0.171D+00 0.848D+00
 Coeff:     -0.183D-01 0.171D+00 0.848D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.58D-04 MaxDP=3.53D-02 DE=-1.26D-04 OVMax= 1.33D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.69D-04    CP:  1.69D+00  1.18D+00  1.16D+00
 E= -366.150266253153     Delta-E=       -0.000009714348 Rises=F Damp=F
 DIIS: error= 4.85D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.150266253153     IErMin= 4 ErrMin= 4.85D-05
 ErrMax= 4.85D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-06 BMatP= 6.35D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.329D-02-0.945D-01 0.260D+00 0.832D+00
 Coeff:      0.329D-02-0.945D-01 0.260D+00 0.832D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.01D-04 MaxDP=1.16D-02 DE=-9.71D-06 OVMax= 7.23D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  5.53D-05    CP:  1.70D+00  1.18D+00  1.23D+00  1.34D+00
 E= -366.150268676998     Delta-E=       -0.000002423845 Rises=F Damp=F
 DIIS: error= 1.20D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.150268676998     IErMin= 5 ErrMin= 1.20D-05
 ErrMax= 1.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 1.54D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.216D-02-0.385D-01 0.140D-01 0.256D+00 0.766D+00
 Coeff:      0.216D-02-0.385D-01 0.140D-01 0.256D+00 0.766D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.32D-05 MaxDP=2.37D-03 DE=-2.42D-06 OVMax= 2.41D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.16D-05    CP:  1.70D+00  1.18D+00  1.24D+00  1.46D+00  1.12D+00
 E= -366.150268873108     Delta-E=       -0.000000196110 Rises=F Damp=F
 DIIS: error= 5.67D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.150268873108     IErMin= 6 ErrMin= 5.67D-06
 ErrMax= 5.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.78D-08 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.497D-03-0.358D-02-0.285D-01-0.203D-02 0.327D+00 0.706D+00
 Coeff:      0.497D-03-0.358D-02-0.285D-01-0.203D-02 0.327D+00 0.706D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.91D-05 MaxDP=1.14D-03 DE=-1.96D-07 OVMax= 7.98D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.68D-06    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.17D+00
                    CP:  1.11D+00
 E= -366.150268912635     Delta-E=       -0.000000039527 Rises=F Damp=F
 DIIS: error= 1.20D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.150268912635     IErMin= 7 ErrMin= 1.20D-06
 ErrMax= 1.20D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-09 BMatP= 2.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.174D-03 0.435D-02-0.901D-02-0.384D-01-0.310D-01 0.159D+00
 Coeff-Com:  0.915D+00
 Coeff:     -0.174D-03 0.435D-02-0.901D-02-0.384D-01-0.310D-01 0.159D+00
 Coeff:      0.915D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.76D-06 MaxDP=4.67D-04 DE=-3.95D-08 OVMax= 3.86D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.65D-06    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.19D+00
                    CP:  1.24D+00  1.07D+00
 E= -366.150268915944     Delta-E=       -0.000000003309 Rises=F Damp=F
 DIIS: error= 3.26D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.150268915944     IErMin= 8 ErrMin= 3.26D-07
 ErrMax= 3.26D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-10 BMatP= 1.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.726D-04 0.151D-02-0.184D-02-0.124D-01-0.230D-01 0.233D-01
 Coeff-Com:  0.317D+00 0.695D+00
 Coeff:     -0.726D-04 0.151D-02-0.184D-02-0.124D-01-0.230D-01 0.233D-01
 Coeff:      0.317D+00 0.695D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.89D-07 MaxDP=5.69D-05 DE=-3.31D-09 OVMax= 6.09D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.17D-07    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.18D+00
                    CP:  1.25D+00  1.11D+00  1.08D+00
 E= -366.150268916098     Delta-E=       -0.000000000155 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.150268916098     IErMin= 9 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-11 BMatP= 1.44D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.734D-05-0.311D-03 0.119D-02 0.345D-02-0.171D-02-0.252D-01
 Coeff-Com: -0.780D-01 0.187D+00 0.914D+00
 Coeff:      0.734D-05-0.311D-03 0.119D-02 0.345D-02-0.171D-02-0.252D-01
 Coeff:     -0.780D-01 0.187D+00 0.914D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.95D-07 MaxDP=4.81D-05 DE=-1.55D-10 OVMax= 3.25D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.51D-07    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.18D+00
                    CP:  1.25D+00  1.11D+00  1.14D+00  1.26D+00
 E= -366.150268916081     Delta-E=        0.000000000017 Rises=F Damp=F
 DIIS: error= 3.05D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -366.150268916098     IErMin=10 ErrMin= 3.05D-08
 ErrMax= 3.05D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-12 BMatP= 1.68D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.640D-05-0.172D-03 0.420D-03 0.164D-02 0.101D-02-0.771D-02
 Coeff-Com: -0.384D-01 0.120D-01 0.255D+00 0.776D+00
 Coeff:      0.640D-05-0.172D-03 0.420D-03 0.164D-02 0.101D-02-0.771D-02
 Coeff:     -0.384D-01 0.120D-01 0.255D+00 0.776D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.19D-07 MaxDP=7.39D-06 DE= 1.67D-11 OVMax= 6.04D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.68D-08    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.18D+00
                    CP:  1.25D+00  1.11D+00  1.14D+00  1.30D+00  1.13D+00
 E= -366.150268916127     Delta-E=       -0.000000000045 Rises=F Damp=F
 DIIS: error= 1.52D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.150268916127     IErMin=11 ErrMin= 1.52D-08
 ErrMax= 1.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-13 BMatP= 1.03D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.936D-06-0.104D-04-0.394D-04 0.170D-04 0.565D-03 0.119D-02
 Coeff-Com: -0.157D-02-0.253D-01-0.482D-01 0.237D+00 0.836D+00
 Coeff:      0.936D-06-0.104D-04-0.394D-04 0.170D-04 0.565D-03 0.119D-02
 Coeff:     -0.157D-02-0.253D-01-0.482D-01 0.237D+00 0.836D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.36D-08 MaxDP=2.77D-06 DE=-4.52D-11 OVMax= 4.26D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.18D+00
                    CP:  1.25D+00  1.11D+00  1.14D+00  1.33D+00  1.22D+00
                    CP:  1.23D+00
 E= -366.150268916138     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 7.79D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -366.150268916138     IErMin=12 ErrMin= 7.79D-09
 ErrMax= 7.79D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.79D-14 BMatP= 1.76D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.659D-06 0.206D-04-0.610D-04-0.210D-03-0.211D-04 0.123D-02
 Coeff-Com:  0.461D-02-0.712D-02-0.403D-01-0.647D-01 0.148D+00 0.959D+00
 Coeff:     -0.659D-06 0.206D-04-0.610D-04-0.210D-03-0.211D-04 0.123D-02
 Coeff:      0.461D-02-0.712D-02-0.403D-01-0.647D-01 0.148D+00 0.959D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.46D-08 MaxDP=1.56D-06 DE=-1.15D-11 OVMax= 1.97D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.11D-09    CP:  1.69D+00  1.18D+00  1.24D+00  1.49D+00  1.18D+00
                    CP:  1.25D+00  1.10D+00  1.13D+00  1.33D+00  1.24D+00
                    CP:  1.40D+00  1.22D+00
 E= -366.150268916113     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 2.86D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -366.150268916138     IErMin=13 ErrMin= 2.86D-09
 ErrMax= 2.86D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.36D-15 BMatP= 1.79D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.268D-06 0.641D-05-0.115D-04-0.561D-04-0.650D-04 0.190D-03
 Coeff-Com:  0.142D-02 0.114D-02-0.380D-02-0.452D-01-0.566D-01 0.276D+00
 Coeff-Com:  0.827D+00
 Coeff:     -0.268D-06 0.641D-05-0.115D-04-0.561D-04-0.650D-04 0.190D-03
 Coeff:      0.142D-02 0.114D-02-0.380D-02-0.452D-01-0.566D-01 0.276D+00
 Coeff:      0.827D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.18D-09 MaxDP=2.11D-07 DE= 2.51D-11 OVMax= 7.20D-08

 SCF Done:  E(RwB97XD) =  -366.150268916     A.U. after   13 cycles
            NFock= 13  Conv=0.42D-08     -V/T= 2.0062
 KE= 3.638980135610D+02 PE=-1.700721329971D+03 EE= 5.449393457262D+02
 Leave Link  502 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:            1045.1 elap:             131.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.11491842D+03

 Leave Link  801 at Thu Aug 12 22:12:20 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.10D-01 6.24D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 3.86D-02 5.54D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.13D-03 1.35D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 2.74D-04 5.15D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 2.74D-05 8.53D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 9.52D-07 1.23D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 2.07D-08 2.28D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 4.02D-10 2.71D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 6.83D-12 3.18D-07.
      7 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.36D-13 6.35D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 7.15D-15 1.05D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.135289D+03
      2  0.137976D+00  0.109073D+03
      3  0.121765D+01  0.580361D+01  0.797152D+02
 Isotropic polarizability for W=    0.085645      108.03 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.688886D+02  0.501883D+01  0.293940D+01
      2  -0.198270D+02 -0.609401D+01 -0.730560D+01
      3  -0.490616D+02  0.107518D+01  0.436619D+01
      4  -0.540684D+01  0.632639D+02  0.341115D+02
      5   0.191763D+02  0.352788D+02 -0.312074D+02
      6   0.141354D+02  0.476399D+01 -0.385714D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.173076D+01  0.170972D+01  0.472520D+00
      2   0.405597D+01  0.138854D+02 -0.110497D+02
      3  -0.394550D+01 -0.325652D+02 -0.128015D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.116734D+01  0.120696D+02  0.493231D+01
      2  -0.162369D+02  0.199761D+02  0.178542D+02
      3  -0.104257D+02 -0.830909D+02 -0.211435D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.833792D+00 -0.196234D+01  0.181574D+00
      2  -0.196234D+01 -0.227210D+01  0.274914D+01
      3   0.181574D+00  0.274914D+01  0.791463D+00
 OR G Eigenvalues:    -4.4961     0.9907     2.8585  Iso=     0.2156
 Eigenvectors:
   (1)   0.322675   0.835203  -0.445327
   (2)   0.821002  -0.012851   0.570780
   (3)  -0.470995   0.549791   0.689851
 w=    0.085645 a.u., Optical Rotation Beta=      0.2156 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       84.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.86D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.92D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.61D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.63D-02 3.46D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 2.54D-03 7.83D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 2.69D-05 8.01D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 4.17D-07 1.09D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 4.37D-09 7.39D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 3.89D-11 7.88D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 2.94D-13 6.40D-08.
      8 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 3.07D-15 1.05D-08.
      2 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 8.32D-16 5.56D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   250 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.49D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 6.49D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 7.00D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135289D+03  0.137976D+00  0.121765D+01
      2   0.137976D+00  0.109073D+03  0.580361D+01
      3   0.121765D+01  0.580361D+01  0.797152D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.173076D+01  0.170972D+01  0.472520D+00
      2   0.405597D+01  0.138854D+02 -0.110497D+02
      3  -0.394550D+01 -0.325652D+02 -0.128015D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.688886D+02  0.501883D+01  0.293940D+01
      2  -0.198270D+02 -0.609401D+01 -0.730560D+01
      3  -0.490616D+02  0.107518D+01  0.436619D+01
      4  -0.540684D+01  0.632639D+02  0.341115D+02
      5   0.191763D+02  0.352788D+02 -0.312074D+02
      6   0.141354D+02  0.476399D+01 -0.385714D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424823D+01 -0.683132D+00 -0.179921D+00  0.543478D+01  0.491827D+00
      2  -0.683132D+00  0.278388D+01 -0.210932D+00  0.491827D+00  0.164520D+01
      3  -0.179921D+00 -0.210932D+00  0.938063D+00 -0.423148D+00 -0.117929D+01
                 6             7             8             9            10 
      1  -0.423148D+00  0.897084D+00 -0.769547D+00  0.200847D+01  0.398205D+01
      2  -0.117929D+01 -0.769547D+00 -0.135573D+01  0.366208D+01 -0.571230D+00
      3   0.217160D+01  0.200847D+01  0.366208D+01  0.289548D+01  0.203609D+00
                11            12            13            14            15 
      1  -0.571230D+00  0.203609D+00  0.844507D+01 -0.102119D+00  0.208454D+00
      2  -0.390290D+01 -0.677556D+00 -0.102119D+00  0.181079D+01 -0.886006D+00
      3  -0.677556D+00 -0.211433D+01  0.208454D+00 -0.886006D+00  0.155848D+01
                16            17            18            19            20 
      1   0.293581D+01 -0.905199D-01 -0.180884D+01 -0.174646D+02 -0.222388D+01
      2  -0.905199D-01 -0.154099D+01  0.300570D+01 -0.222388D+01 -0.250191D+01
      3  -0.180884D+01  0.300570D+01  0.149124D+01  0.422251D+00  0.176976D+00
                21            22            23            24            25 
      1   0.422251D+00 -0.279075D+01  0.130074D+01  0.160718D+01 -0.796072D+00
      2   0.176976D+00  0.130074D+01 -0.409193D+00 -0.282661D+00  0.146257D+01
      3  -0.232222D+01  0.160718D+01 -0.282661D+00  0.103209D+00 -0.401803D+01
                26            27            28            29            30 
      1   0.146257D+01 -0.401803D+01  0.524301D+01  0.262966D+01  0.729362D+00
      2  -0.632795D+00 -0.544477D+00  0.262966D+01 -0.279930D+01 -0.203297D+00
      3  -0.544477D+00 -0.770942D+00  0.729362D+00 -0.203297D+00 -0.135806D+01
                31            32            33            34            35 
      1  -0.712692D+01 -0.652550D+00  0.262442D+00 -0.105127D+01  0.988397D+00
      2  -0.652550D+00 -0.217207D+01  0.115933D+01  0.988397D+00  0.118537D+01
      3   0.262442D+00  0.115933D+01 -0.176469D+01 -0.865865D+00 -0.334377D+01
                36            37            38            39            40 
      1  -0.865865D+00 -0.269557D+01 -0.877662D+00 -0.408816D+00 -0.617792D+01
      2  -0.334377D+01 -0.877662D+00  0.320260D+01  0.929300D+00 -0.615286D+00
      3  -0.302901D+01 -0.408816D+00  0.929300D+00  0.211722D+01 -0.100678D+01
                41            42            43            44            45 
      1  -0.615286D+00 -0.100678D+01 -0.185287D+01 -0.738725D+00  0.303955D+01
      2  -0.117274D+01  0.148819D+01 -0.738725D+00  0.191750D+01 -0.307361D+01
      3   0.148819D+01 -0.195048D+01  0.303955D+01 -0.307361D+01 -0.184942D+01
                46            47            48            49            50 
      1   0.656507D+01  0.509397D+00 -0.426270D+00  0.114163D+01 -0.673612D+00
      2   0.509397D+00  0.350521D+01  0.496014D-01 -0.673612D+00  0.165023D+00
      3  -0.426270D+00  0.496014D-01  0.322967D+01 -0.152527D+01 -0.693182D+00
                51            52            53            54            55 
      1  -0.152527D+01 -0.477701D-01 -0.153670D+01  0.534360D+01  0.384271D+01
      2  -0.693182D+00 -0.153670D+01  0.234750D-01  0.385471D+00  0.415846D+00
      3   0.435248D-01  0.534360D+01  0.385471D+00  0.103440D+01 -0.119123D+01
                56            57            58            59            60 
      1   0.415846D+00 -0.119123D+01  0.990391D-01  0.226250D+01 -0.264977D+01
      2   0.118967D+01 -0.120414D+01  0.226250D+01  0.515787D+01  0.372699D+01
      3  -0.120414D+01  0.268503D+01 -0.264977D+01  0.372699D+01  0.722243D+00
                61            62            63            64            65 
      1  -0.552454D+01 -0.212417D+01  0.496738D+01  0.728733D+01  0.135048D+01
      2  -0.212417D+01  0.356593D+01  0.274368D+01  0.135048D+01 -0.983703D+00
      3   0.496738D+01  0.274368D+01 -0.233150D+01  0.134083D+01  0.591227D+00
                66            67            68            69            70 
      1   0.134083D+01  0.359618D+01 -0.186258D+01  0.150203D+01  0.150464D+01
      2   0.591227D+00 -0.186258D+01  0.864800D+00 -0.186935D+01  0.477413D+00
      3  -0.196429D+01  0.150203D+01 -0.186935D+01 -0.546861D+00 -0.183429D+01
                71            72            73            74            75 
      1   0.477413D+00 -0.183429D+01  0.899042D+01  0.203836D+01  0.144776D-01
      2  -0.454622D+00 -0.131408D+01  0.203836D+01 -0.212295D+01  0.113732D+01
      3  -0.131408D+01  0.508450D+01  0.144776D-01  0.113732D+01 -0.302208D+01
                76            77            78            79            80 
      1   0.159303D+01 -0.184381D+01  0.164398D+01  0.575944D+01  0.193313D+01
      2  -0.184381D+01  0.230620D+00 -0.425611D+01  0.193313D+01 -0.274113D+01
      3   0.164398D+01 -0.425611D+01 -0.130321D+01 -0.446293D+01 -0.181952D+01
                81            82            83            84            85 
      1  -0.446293D+01 -0.127388D+02  0.852868D+00 -0.248819D+01 -0.748018D-01
      2  -0.181952D+01  0.852868D+00 -0.807306D+00  0.461064D+00 -0.499186D+00
      3   0.197238D+01 -0.248819D+01  0.461064D+00 -0.174174D+01  0.204889D+00
                86            87            88            89            90 
      1  -0.499186D+00  0.204889D+00 -0.277199D+00  0.225341D+00 -0.850048D+00
      2   0.600025D+00  0.107265D+00  0.225341D+00  0.433494D+00  0.210637D+00
      3   0.107265D+00  0.352653D-01 -0.850048D+00  0.210637D+00 -0.482699D+00
                91            92            93            94            95 
      1   0.526526D-01 -0.124371D+01 -0.473126D+00 -0.261881D+01 -0.144615D+01
      2  -0.124371D+01 -0.122297D+01 -0.266523D+00 -0.144615D+01 -0.669064D+01
      3  -0.473126D+00 -0.266523D+00 -0.867270D+00 -0.375349D+00 -0.205966D+01
                96            97            98            99           100 
      1  -0.375349D+00 -0.584247D+00 -0.299290D+00 -0.115778D+01 -0.400467D+00
      2  -0.205966D+01 -0.299290D+00 -0.301167D+01 -0.205373D+01  0.458821D+00
      3  -0.197828D+01 -0.115778D+01 -0.205373D+01 -0.174826D+01  0.350812D+00
               101           102           103           104           105 
      1   0.458821D+00  0.350812D+00  0.169406D+01 -0.343843D-01 -0.772620D+00
      2   0.380147D+00  0.426369D-01 -0.343843D-01  0.317392D+01  0.224758D+01
      3   0.426369D-01  0.826660D+00 -0.772620D+00  0.224758D+01  0.343578D+01
               106           107           108           109           110 
      1   0.723315D+00 -0.211051D+00 -0.636422D-01  0.252828D+00 -0.995930D+00
      2  -0.211051D+00  0.191394D+01  0.160120D+01 -0.995930D+00  0.147073D+01
      3  -0.636422D-01  0.160120D+01  0.346957D+01  0.524595D+00 -0.975326D+00
               111           112           113           114           115 
      1   0.524595D+00 -0.159680D+01  0.507567D+00 -0.190471D+00  0.327292D+00
      2  -0.975326D+00  0.507567D+00 -0.444480D+01  0.274608D+01 -0.387482D+00
      3   0.160983D+01 -0.190471D+00  0.274608D+01 -0.255631D+01  0.466126D+00
               116           117           118           119           120 
      1  -0.387482D+00  0.466126D+00 -0.136830D+02 -0.213930D+01  0.186740D+01
      2   0.196316D+01 -0.167236D+01 -0.213930D+01 -0.126306D+01  0.377018D+00
      3  -0.167236D+01  0.250561D+01  0.186740D+01  0.377018D+00 -0.158777D+01
               121           122           123           124           125 
      1  -0.208546D+01 -0.148551D+01  0.190768D+00 -0.105171D+01 -0.240797D+00
      2  -0.148551D+01 -0.828174D+00  0.602233D+00 -0.240797D+00  0.384596D-01
      3   0.190768D+00  0.602233D+00 -0.240165D+00 -0.714062D+00 -0.323661D-01
               126           127           128           129           130 
      1  -0.714062D+00 -0.158327D+01 -0.168169D+01 -0.534138D+00 -0.151211D+01
      2  -0.323661D-01 -0.168169D+01 -0.207023D+01 -0.639735D+00 -0.197265D+01
      3  -0.959687D-01 -0.534138D+00 -0.639735D+00 -0.357665D+00 -0.541125D+00
               131           132           133           134           135 
      1  -0.197265D+01 -0.541125D+00 -0.635712D+00 -0.700363D+00 -0.118968D+00
      2  -0.778073D+01 -0.207109D+01 -0.700363D+00 -0.218499D+01 -0.588897D+00
      3  -0.207109D+01 -0.130632D+01 -0.118968D+00 -0.588897D+00 -0.355814D+00
               136           137           138           139           140 
      1   0.476165D+01 -0.375629D+01 -0.719483D+00 -0.366815D+01  0.434354D+01
      2  -0.375629D+01  0.342405D+01  0.554215D+00  0.434354D+01 -0.632099D+01
      3  -0.719483D+00  0.554215D+00  0.574531D+00  0.966943D+00 -0.124392D+01
               141           142           143           144           145 
      1   0.966943D+00 -0.678918D+00  0.821163D+00  0.135096D+00  0.129884D+02
      2  -0.124392D+01  0.821163D+00 -0.146728D+01 -0.207683D+00  0.118158D+01
      3  -0.905801D+00  0.135096D+00 -0.207683D+00 -0.180532D+00  0.989367D+00
               146           147           148           149           150 
      1   0.118158D+01  0.989367D+00  0.113096D+01  0.159792D+01  0.507265D+00
      2   0.822671D+00  0.739377D-01  0.159792D+01  0.441373D+00  0.153967D+00
      3   0.739377D-01  0.864057D+00  0.507265D+00  0.153967D+00  0.142070D+00
               151           152           153           154           155 
      1   0.106760D+01  0.497566D+00 -0.360447D-01  0.224186D+01  0.255730D+01
      2   0.497566D+00  0.131883D+00  0.193882D-01  0.255730D+01  0.276224D+01
      3  -0.360447D-01  0.193882D-01  0.131728D+00  0.733650D+00  0.734750D+00
               156           157           158           159           160 
      1   0.733650D+00  0.226344D+01  0.367769D+01  0.981235D+00  0.751900D+00
      2   0.734750D+00  0.367769D+01  0.887951D+01  0.217364D+01  0.107669D+01
      3   0.511501D+00  0.981235D+00  0.217364D+01  0.132210D+01  0.265079D+00
               161           162           163           164           165 
      1   0.107669D+01  0.265079D+00 -0.406367D+01  0.214262D+01 -0.548877D-01
      2   0.229788D+01  0.504053D+00  0.214262D+01 -0.245367D+01 -0.307673D+00
      3   0.504053D+00  0.311434D+00 -0.548877D-01 -0.307673D+00 -0.466384D+00
               166           167           168           169           170 
      1   0.226492D+01 -0.267175D+01 -0.571470D+00 -0.698590D-01 -0.473099D+00
      2  -0.267175D+01  0.547157D+01  0.904479D+00 -0.473099D+00  0.110705D+01
      3  -0.571470D+00  0.904479D+00  0.822308D+00 -0.148518D+00  0.206728D+00
               171           172           173           174           175 
      1  -0.148518D+00  0.669688D+00  0.358946D-01 -0.700296D+00 -0.114054D-01
      2   0.206728D+00  0.358946D-01  0.586790D+00 -0.642863D+00 -0.322206D+00
      3   0.174084D+00 -0.700296D+00 -0.642863D+00  0.244526D+01 -0.191968D-01
               176           177           178           179           180 
      1  -0.322206D+00 -0.191968D-01 -0.139691D+01  0.894730D-01 -0.146278D+00
      2   0.137864D+01 -0.768473D+00  0.894730D-01 -0.118894D+01  0.231156D+01
      3  -0.768473D+00  0.219553D+01 -0.146278D+00  0.231156D+01 -0.822627D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321288D-02  0.108894D+01 -0.225675D+01  0.175683D+01  0.261021D+00
      2  -0.897617D+00  0.301695D+01  0.313612D+00  0.148140D+01 -0.368875D+01
      3   0.278430D+01 -0.129532D+02 -0.268330D+01  0.317505D+01 -0.174342D+01
                 6             7             8             9            10 
      1  -0.375877D+01 -0.501749D+01  0.868132D+00 -0.136333D+01 -0.667516D+00
      2   0.561268D+01 -0.833376D+01  0.875318D+01  0.485642D+01  0.161560D+01
      3   0.219705D+01 -0.792847D+00  0.283078D+01 -0.448496D+01  0.118970D+01
                11            12            13            14            15 
      1  -0.405673D+00  0.332526D+01 -0.875417D+00  0.176074D+00 -0.246421D+01
      2   0.292670D+00 -0.173869D+01  0.435894D+01  0.104929D+01  0.656051D+00
      3   0.142186D+01  0.139244D+01  0.292139D+01 -0.709060D+01  0.760769D+00
                16            17            18            19            20 
      1   0.676480D+01  0.305219D+01  0.219279D+00 -0.961941D+00 -0.282348D+00
      2  -0.120114D+02 -0.207724D+00  0.620874D+00 -0.376308D+01 -0.136823D+01
      3  -0.961575D+00  0.799479D-01 -0.575697D+01  0.351247D+00  0.763507D+01
                21            22            23            24            25 
      1   0.652002D-01 -0.116190D+01 -0.386634D+01  0.112806D+01 -0.382656D+00
      2  -0.176626D+01 -0.130964D+01  0.619836D+00  0.210713D+00 -0.150073D+02
      3   0.122623D+01  0.171212D+02  0.210100D+01 -0.196888D+01 -0.477689D-01
                26            27            28            29            30 
      1   0.100341D+02  0.275825D+01  0.857241D-01  0.173630D+01 -0.263250D+01
      2   0.581869D+00 -0.200935D+00  0.402508D+01  0.169743D+01 -0.129490D+01
      3  -0.905657D+00  0.280381D+00 -0.554144D+01 -0.249088D+01 -0.237824D+01
                31            32            33            34            35 
      1   0.109510D+01  0.997487D+00 -0.298595D+01 -0.506229D+01  0.107661D+01
      2   0.166643D+01 -0.812035D+00 -0.140447D+01 -0.136631D+02 -0.145902D+01
      3   0.363588D+01  0.675574D+01  0.244097D+00 -0.268801D+01 -0.592512D+00
                36            37            38            39            40 
      1  -0.852933D+00 -0.426442D+00 -0.127887D+01  0.339085D+01 -0.161107D+01
      2  -0.268652D+01 -0.124991D+01  0.195112D+01  0.291711D+01 -0.109296D+01
      3   0.517391D+01  0.360792D+01 -0.108344D+02 -0.217685D+01  0.670434D+01
                41            42            43            44            45 
      1  -0.182715D+00 -0.242583D+01  0.703990D+01  0.339158D+01  0.114660D+01
      2   0.394389D+01 -0.637238D+01 -0.383797D+01 -0.961139D+01 -0.518376D+01
      3   0.234712D+01 -0.265195D+01  0.147930D+00 -0.374442D+01  0.381705D+01
                46            47            48            49            50 
      1   0.373061D+00 -0.424818D+00 -0.118282D+01 -0.956560D+00 -0.317278D+01
      2   0.430433D+00 -0.595775D+00  0.910644D+01 -0.528494D+01 -0.222245D-01
      3  -0.245860D+01 -0.758923D+01  0.382711D+00  0.115047D+02 -0.186107D+01
                51            52            53            54            55 
      1   0.252815D+01 -0.220175D+01  0.109632D+02  0.332412D+01 -0.967339D+00
      2   0.110292D+01  0.802530D+01  0.197867D+01  0.267905D+01  0.321086D+01
      3   0.132535D+01  0.458201D+01  0.938254D+00 -0.352365D+00 -0.621752D+00
                56            57            58            59            60 
      1  -0.114835D+01 -0.931741D+00  0.277929D+01  0.364269D+01  0.756903D+00
      2   0.127261D+01 -0.340366D+01  0.289850D+01 -0.763902D+01 -0.166120D+01
      3   0.614217D+00  0.700409D+00  0.860148D+01  0.620588D+01  0.787132D+01
                61            62            63            64            65 
      1   0.293238D+01  0.340385D+01 -0.210819D+01 -0.277814D+01  0.260751D+01
      2  -0.158135D+02 -0.664915D+01  0.378715D+01  0.231936D+01 -0.127406D+01
      3  -0.309391D+00  0.125128D+02  0.364150D+01  0.176854D+02 -0.800264D+01
                66            67            68            69            70 
      1   0.279701D+01  0.560579D-01 -0.238574D+01 -0.170515D+01 -0.998145D+00
      2   0.100366D+02  0.130161D+00  0.266409D+01  0.194859D+01  0.117282D+01
      3   0.508894D+01  0.269282D+01  0.365265D+01 -0.418552D+01  0.291427D+01
                71            72            73            74            75 
      1   0.694794D+01 -0.746066D+01  0.364628D+01 -0.306854D+01 -0.338739D+00
      2   0.497466D+01 -0.138598D+02 -0.132742D+02 -0.577360D+01  0.112737D+02
      3  -0.194574D+01 -0.512685D+01  0.302618D+00 -0.100203D+02  0.197162D+01
                76            77            78            79            80 
      1  -0.521449D+00 -0.138765D+01 -0.112028D+02 -0.140827D+01 -0.596499D+01
      2  -0.575796D+01  0.137544D+02  0.205622D+01  0.809813D+01  0.339589D+01
      3  -0.293088D+01  0.243768D+01 -0.141738D+02  0.969553D+00 -0.125658D+02
                81            82            83            84            85 
      1  -0.698091D+00  0.218112D+01  0.973314D+00  0.132893D+01 -0.449089D+00
      2   0.350480D-02 -0.449081D+01 -0.238204D+00  0.523470D+01 -0.105692D+01
      3  -0.175494D+01 -0.115956D+02 -0.475846D+01 -0.178557D+01 -0.994369D+00
                86            87            88            89            90 
      1  -0.360337D+00 -0.654403D+00 -0.145351D+00  0.134881D+00 -0.392911D-02
      2  -0.592970D+00  0.784228D+00  0.651573D+00  0.527696D-01  0.859262D+00
      3   0.993069D+00  0.979995D+00  0.118391D-01  0.713055D+00 -0.152460D+00
                91            92            93            94            95 
      1  -0.690944D+00 -0.679199D-01 -0.808341D+00 -0.976221D+00  0.591985D-01
      2   0.105570D+01  0.321919D+00  0.249558D+01 -0.779790D+00  0.383948D+01
      3  -0.330329D+01 -0.255958D+01 -0.337906D+00  0.346211D+01 -0.124333D+02
                96            97            98            99           100 
      1  -0.453153D+01 -0.849839D+00  0.443556D+00 -0.217413D+01  0.147260D+01
      2   0.368397D+01  0.658933D-01  0.306666D+01  0.293328D+01 -0.152869D+01
      3  -0.378336D+01  0.135268D+01 -0.602667D+01 -0.306106D+01  0.223249D+01
               101           102           103           104           105 
      1   0.134471D+01  0.262757D+00  0.465181D+00  0.783991D+01  0.363652D+01
      2  -0.100383D+01 -0.189265D+01 -0.174971D+01 -0.654537D+01 -0.797953D+01
      3   0.102788D+01  0.862507D-01  0.187349D+01  0.900624D+01  0.659095D+01
               106           107           108           109           110 
      1  -0.324097D+00  0.589551D+01  0.433059D+01 -0.157915D+01  0.228655D+01
      2  -0.248364D+01 -0.414495D+01 -0.821795D+01 -0.316346D+01  0.344484D+01
      3  -0.316441D+00  0.546748D+01  0.467063D+01 -0.424813D+01  0.431959D+01
               111           112           113           114           115 
      1   0.580721D+00  0.123428D+01 -0.525508D+01  0.633369D-01  0.262404D+00
      2  -0.350010D+01  0.386345D+01 -0.797692D+01  0.623739D+01 -0.350933D+01
      3  -0.239106D+01  0.543803D+01 -0.112374D+02  0.702593D+01 -0.158386D+01
               116           117           118           119           120 
      1   0.356266D+01  0.586794D-02 -0.122959D+01 -0.207664D+01 -0.140107D+01
      2   0.466217D+01 -0.621715D+01  0.103081D+02  0.125512D+01  0.656806D+01
      3   0.527377D+01 -0.484773D+01  0.338838D+01 -0.584867D+01  0.740561D-01
               121           122           123           124           125 
      1  -0.161694D+01 -0.487780D+00 -0.132912D+00 -0.810288D+00  0.106382D+01
      2   0.190077D+01 -0.378503D+00  0.937935D+00  0.106073D+01 -0.577435D-01
      3  -0.162951D+01 -0.163279D+01  0.170458D+01 -0.109591D+00  0.128133D+01
               126           127           128           129           130 
      1  -0.255470D+00  0.115808D+00  0.287157D+00 -0.145168D+01  0.115257D+00
      2   0.861653D+00 -0.176786D+01 -0.116527D+01  0.128586D+00 -0.171068D+01
      3   0.735381D+00  0.629800D+01  0.332901D+01  0.131103D+01  0.689054D+01
               131           132           133           134           135 
      1   0.790700D+00 -0.395992D+01  0.553830D+00  0.233504D+01 -0.573859D+00
      2  -0.230619D+01  0.480271D-01 -0.201270D+01 -0.641711D+00  0.104184D+00
      3   0.810358D+01  0.255990D+01  0.231198D+01  0.227484D+01  0.454631D+00
               136           137           138           139           140 
      1   0.181484D+00 -0.606211D+00  0.216346D+01  0.299568D+00  0.262154D+00
      2   0.677709D-02  0.120389D+00  0.279613D+01  0.937764D+00 -0.176792D+01
      3   0.148829D+01 -0.489431D+01 -0.334346D+00 -0.321037D+01  0.106745D+02
               141           142           143           144           145 
      1  -0.328382D+01 -0.978991D+00  0.169843D+01 -0.392350D+00 -0.144271D+00
      2  -0.336123D+01 -0.940103D+00  0.547064D+00 -0.473995D+00  0.117929D+01
      3   0.164794D+01 -0.105805D+01  0.260023D+01  0.242274D+00 -0.450103D+00
               146           147           148           149           150 
      1   0.372678D+00 -0.569270D+00  0.149018D-01  0.273309D-01 -0.477176D+00
      2  -0.129034D-01  0.606144D+01  0.179268D+01  0.374581D+00  0.837591D+00
      3  -0.537473D+01  0.873813D-01 -0.369575D+01 -0.127167D+01 -0.398474D+00
               151           152           153           154           155 
      1   0.410373D+00  0.555062D+00 -0.444268D-01 -0.208618D+00  0.137843D+00
      2  -0.288160D+01 -0.176523D+00  0.434624D+00  0.307132D+00  0.646466D+00
      3  -0.155794D+01 -0.769546D+00 -0.282607D-01 -0.716331D+00 -0.269744D+01
               156           157           158           159           160 
      1  -0.163295D+01 -0.245216D+00  0.483649D+00 -0.430970D+01  0.575184D+00
      2   0.170499D+01  0.603887D+00  0.313645D+01  0.336556D+01 -0.656597D+00
      3  -0.485897D+00 -0.115882D+01 -0.129499D+02 -0.286629D+01 -0.374139D+00
               161           162           163           164           165 
      1   0.204756D+01 -0.615082D+00  0.133638D+01 -0.826411D+00  0.229424D+01
      2   0.122612D+00  0.745806D+00  0.257898D+01 -0.926263D+00  0.794413D+00
      3  -0.343924D+01 -0.657336D+00 -0.115710D+02  0.358670D+01 -0.533896D+00
               166           167           168           169           170 
      1   0.788235D-01  0.630390D-01 -0.305303D+01  0.112200D+00  0.194708D+01
      2  -0.934390D+00  0.125240D+01 -0.103959D+01 -0.150064D+01  0.442993D+00
      3   0.656273D+01 -0.476958D+01 -0.131499D+01 -0.772519D+00 -0.116475D+01
               171           172           173           174           175 
      1  -0.960585D-01  0.264700D+00 -0.649214D+00 -0.300256D+01 -0.895786D-01
      2  -0.304341D+00  0.370646D+01  0.123954D+01 -0.597351D+01  0.430080D-01
      3  -0.333418D+00  0.110669D+01  0.155184D+01 -0.211496D+01  0.683284D+00
               176           177           178           179           180 
      1  -0.405724D+00 -0.302939D+01 -0.400680D+00  0.108139D+01  0.775476D+01
      2   0.109549D+01 -0.566346D+01 -0.407010D+01 -0.570394D+01  0.186499D+02
      3   0.278583D+01 -0.955820D+00 -0.171815D+01 -0.281819D+01  0.754059D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.759909D+01 -0.225460D+02 -0.350294D+01  0.222617D+02  0.114325D+02
      2  -0.706299D+01  0.149619D+02  0.796141D+00 -0.192183D+02 -0.139358D+02
      3  -0.536097D+00  0.758413D+01  0.270680D+01 -0.304344D+01  0.250337D+01
      4  -0.153566D+02 -0.531678D+01 -0.346598D+01  0.121190D+02 -0.556180D+00
      5  -0.652568D+01 -0.156783D+01 -0.270169D+01  0.274275D+00 -0.786766D+01
      6  -0.469695D+01 -0.116478D+01  0.469326D+01 -0.603667D+01 -0.121007D+02
                 6             7             8             9            10 
      1   0.381834D+01  0.532558D+01  0.871071D+00 -0.577467D+01 -0.390368D+00
      2  -0.777873D+01 -0.865655D+01 -0.938928D+01 -0.573062D+01 -0.488464D+00
      3   0.396038D+01  0.333097D+01  0.851821D+01  0.115053D+02  0.878832D+00
      4  -0.734272D+01 -0.301901D+01 -0.100743D+02  0.133766D+02  0.101726D+02
      5   0.114103D+02  0.130395D+02  0.135551D+02  0.105513D+02  0.346273D+01
      6   0.560079D+01  0.526405D+01  0.135124D+02  0.358362D+01  0.255098D+01
                11            12            13            14            15 
      1   0.180894D+02  0.501083D+01 -0.439610D+01  0.589351D+00  0.486024D+01
      2  -0.132378D+02  0.851169D+00  0.120441D+02 -0.336614D+01 -0.362971D+01
      3  -0.485156D+01 -0.586200D+01 -0.764796D+01  0.277678D+01 -0.123053D+01
      4  -0.117829D+02 -0.762797D+00  0.371182D+01  0.131358D+02  0.284461D+01
      5  -0.174205D+01 -0.271983D+01  0.380389D+01  0.267482D+01 -0.161001D+00
      6  -0.105165D+01 -0.691975D+01  0.868716D+01 -0.588775D+01  0.523327D+01
                16            17            18            19            20 
      1  -0.174906D+01  0.524560D+01 -0.140517D+02 -0.200876D+02 -0.296153D+01
      2   0.770819D+01 -0.751954D+01  0.161759D+01  0.546539D+01  0.268869D+01
      3  -0.595913D+01  0.227394D+01  0.124341D+02  0.146222D+02  0.272833D+00
      4   0.290188D+01  0.935320D+00  0.367054D+01  0.492053D+01  0.145094D+01
      5   0.308146D+01  0.243113D+01 -0.258091D+00 -0.882317D+01 -0.133821D+01
      6  -0.264775D+01  0.108232D+02  0.323896D+00 -0.406494D+01  0.408652D+00
                21            22            23            24            25 
      1  -0.371557D+01  0.120581D+01 -0.782746D+01 -0.132615D+01 -0.543534D+01
      2  -0.339057D+00 -0.330630D+01  0.138328D+02  0.808085D+01 -0.145611D+01
      3   0.405463D+01  0.210049D+01 -0.600537D+01 -0.675470D+01  0.689145D+01
      4  -0.793254D+00 -0.890633D+01 -0.207859D+01  0.144020D+01 -0.620934D+01
      5   0.119579D+00 -0.642042D+01  0.145257D+01 -0.371511D+00  0.609512D+01
      6   0.141867D+01 -0.290610D+01  0.608918D+01 -0.155548D+01  0.541922D-01
                26            27            28            29            30 
      1  -0.208050D+01 -0.821169D+01  0.126712D+02 -0.114822D+02 -0.444721D+00
      2   0.421135D+01 -0.294602D+01 -0.835189D+01  0.872748D+01 -0.172949D+01
      3  -0.213085D+01  0.111577D+02 -0.431929D+01  0.275472D+01  0.217421D+01
      4   0.235571D+01  0.149398D+01 -0.645465D+01 -0.192066D+02 -0.403427D+01
      5   0.111071D+01 -0.836258D+00  0.225685D+01 -0.289493D+01 -0.547565D+01
      6   0.740505D+01 -0.351855D+01 -0.179749D+01 -0.190039D+01  0.535956D+01
                31            32            33            34            35 
      1   0.490082D+00  0.706320D+01  0.511895D+01  0.240163D+01  0.381937D+01
      2  -0.864072D+01 -0.100284D+02 -0.830809D+01 -0.472654D+01 -0.112288D+02
      3   0.815064D+01  0.296519D+01  0.318915D+01  0.232490D+01  0.740947D+01
      4   0.111707D+02 -0.132865D+02 -0.236037D+01 -0.732211D+00 -0.296798D+01
      5  -0.555730D+00 -0.268734D+01 -0.106099D+01  0.348452D+01 -0.586241D+01
      6  -0.612329D+01 -0.109285D+02  0.376431D+01  0.136937D+01  0.122744D+02
                36            37            38            39            40 
      1  -0.156878D+02 -0.250072D+01  0.242139D+02  0.649781D+01 -0.287670D+02
      2  -0.738063D+00 -0.122712D+01 -0.156411D+02  0.511072D+00  0.267566D+02
      3   0.164259D+02  0.372784D+01 -0.857281D+01 -0.700888D+01  0.201035D+01
      4  -0.718779D+01  0.153961D+02  0.469539D+01  0.262946D+01  0.317069D+01
      5  -0.463489D+01 -0.660212D-01  0.733770D+00  0.588272D+01 -0.588731D+01
      6   0.475419D+01  0.617670D+00 -0.155662D+01 -0.780038D+01  0.861102D+01
                41            42            43            44            45 
      1   0.463042D+01  0.127392D+01 -0.953448D+01  0.437986D+01  0.235752D+01
      2  -0.725665D+01 -0.170557D+01  0.117495D+02 -0.877472D+01 -0.900864D+01
      3   0.262623D+01  0.431658D+00 -0.221500D+01  0.439486D+01  0.665112D+01
      4   0.796335D+01  0.109899D+02 -0.179977D+01  0.961684D+01 -0.138195D+02
      5   0.924815D+01 -0.129339D+02  0.197233D+02 -0.141170D+02 -0.110323D+02
      6  -0.771495D+01  0.479760D+01 -0.589385D+01  0.116939D+02 -0.279789D+00
                46            47            48            49            50 
      1  -0.871701D+01 -0.341462D+01 -0.540782D+01  0.100188D+02 -0.206143D+02
      2   0.525920D+01  0.269194D+01  0.175436D+01 -0.848419D+01  0.178040D+02
      3   0.345781D+01  0.722680D+00  0.365345D+01 -0.153463D+01  0.281031D+01
      4  -0.145573D+01  0.241102D+02  0.297419D+00 -0.205202D+02 -0.374549D+01
      5  -0.388583D+01 -0.243912D-01  0.207854D+02 -0.147698D+02 -0.129562D+01
      6   0.524546D+00  0.204765D+00  0.256535D+01 -0.344087D+01  0.490463D+01
                51            52            53            54            55 
      1  -0.895546D+01 -0.322132D+01 -0.939362D+01  0.133468D+02  0.108599D+02
      2   0.118925D+02 -0.986454D+00  0.654499D+01 -0.161406D+02 -0.260942D+01
      3  -0.293707D+01  0.420778D+01  0.284863D+01  0.279386D+01 -0.825043D+01
      4  -0.429195D+01 -0.152705D+02 -0.157136D+01  0.174022D+01  0.213213D+01
      5   0.198955D+01  0.354494D+02  0.291500D+01  0.583243D+01  0.640504D+01
      6  -0.416556D+01  0.120093D+01  0.711023D+01 -0.480248D+01  0.275942D+01
                56            57            58            59            60 
      1   0.519979D+00 -0.219078D+01  0.117543D+02  0.607560D+01  0.813707D+01
      2   0.341918D+01 -0.138379D+01 -0.796448D+01 -0.126068D+02 -0.173659D+02
      3  -0.393916D+01  0.357458D+01 -0.378977D+01  0.653117D+01  0.922881D+01
      4  -0.119119D+02  0.352633D+01 -0.130949D+02 -0.214229D+02 -0.178624D+02
      5   0.362693D+01 -0.167008D+02  0.181744D+02 -0.155104D+02 -0.594508D+00
      6  -0.723926D+00 -0.647795D+00 -0.587714D+01 -0.119084D+02 -0.642489D+01
                61            62            63            64            65 
      1   0.562601D+01  0.709664D+01 -0.592901D+01 -0.373700D+02  0.404484D+00
      2  -0.117183D+02 -0.344627D+01  0.755047D+01  0.253574D+02 -0.568711D+01
      3   0.609228D+01 -0.365037D+01 -0.162146D+01  0.120125D+02  0.528262D+01
      4   0.151585D+02 -0.199565D+02 -0.132166D+02 -0.145041D+01  0.145462D+02
      5  -0.299428D+02 -0.127325D+02  0.995565D+01 -0.170610D+02 -0.102888D+01
      6  -0.779223D+01 -0.103675D+02  0.331188D+01 -0.839969D+00  0.156469D+01
                66            67            68            69            70 
      1  -0.106083D+02 -0.111734D+02 -0.369384D+01 -0.359558D+01 -0.912392D+01
      2   0.873193D+00  0.299114D+01  0.138600D+02 -0.155915D+01  0.233748D+01
      3   0.973511D+01  0.818227D+01 -0.101661D+02  0.515473D+01  0.678644D+01
      4   0.130268D+01  0.177112D+02 -0.915444D+01  0.114762D+02 -0.124438D+01
      5   0.127570D+02 -0.107406D+02  0.101942D+02  0.505570D+00  0.114162D+02
      6  -0.354208D+01  0.623659D+01 -0.446777D+01  0.652511D+01 -0.160991D+01
                71            72            73            74            75 
      1   0.184073D+00  0.160670D+02 -0.560141D+02 -0.162973D+02  0.101233D+02
      2  -0.917278D+01  0.405402D-01  0.223974D+02  0.976562D+01 -0.995896D+00
      3   0.898870D+01 -0.161076D+02  0.336168D+02  0.653169D+01 -0.912744D+01
      4   0.453330D+01  0.221495D+01 -0.213033D+02  0.811163D+01 -0.311815D+01
      5   0.456468D+01 -0.158471D+02  0.137513D+02 -0.344622D+00  0.137512D+02
      6   0.460423D+01  0.873249D+01  0.404414D+01 -0.711460D+01  0.432346D+01
                76            77            78            79            80 
      1  -0.171828D+02  0.191171D+02 -0.431832D+01  0.453515D-01 -0.622083D+01
      2   0.912249D+01 -0.496564D+01  0.133716D+02  0.954754D+01  0.118916D+02
      3   0.806033D+01 -0.141515D+02 -0.905331D+01 -0.959289D+01 -0.567073D+01
      4   0.732139D+01  0.294628D+01  0.180367D+02 -0.956285D+01  0.131817D+02
      5  -0.396742D+01  0.134302D+02  0.871151D+01  0.258179D+02  0.114827D+02
      6  -0.391721D+01  0.369918D+01 -0.126816D+02  0.887914D+01 -0.799994D+01
                81            82            83            84            85 
      1   0.123996D+02  0.740295D+02 -0.276399D+01  0.103830D+02  0.410186D+01
      2  -0.130692D+02 -0.436776D+02  0.122193D+01 -0.941007D+01 -0.132714D+01
      3   0.669538D+00 -0.303519D+02  0.154207D+01 -0.972947D+00 -0.277472D+01
      4   0.118690D+02 -0.140594D+02  0.701904D+01 -0.388748D+01  0.527719D+01
      5  -0.150132D+02  0.300616D+02 -0.306841D+01  0.147028D+02 -0.108893D+01
      6  -0.603140D+01 -0.244682D+01  0.209256D+01 -0.251079D+01  0.182848D+01
                86            87            88            89            90 
      1   0.223653D+01 -0.205146D+01  0.311867D+01 -0.131706D+01  0.353471D+01
      2   0.403471D+00  0.155935D+01 -0.238855D+01  0.109465D+01 -0.354610D+01
      3  -0.264001D+01  0.492114D+00 -0.730114D+00  0.222408D+00  0.113907D-01
      4  -0.188768D+01  0.128218D+00 -0.243116D+01 -0.228388D+00 -0.134051D+01
      5   0.806753D-01 -0.663469D+00  0.910752D+01 -0.149027D+01  0.461568D+01
      6  -0.202089D+00  0.119389D+01 -0.137069D+01  0.104073D+01 -0.855198D+00
                91            92            93            94            95 
      1   0.116189D+01  0.232194D+01  0.188498D+01  0.595323D+00 -0.134086D+02
      2   0.176485D+01 -0.767249D-01  0.911573D-01  0.228774D+01  0.215772D+02
      3  -0.292674D+01 -0.224522D+01 -0.197614D+01 -0.288306D+01 -0.816857D+01
      4   0.713877D+01  0.116872D+02  0.290240D+01  0.107850D+02  0.296673D+02
      5   0.253650D+01  0.284526D+01  0.716065D+01  0.269771D+01  0.789731D+01
      6   0.405561D+01  0.182750D+01  0.106300D+01  0.291992D+01  0.162276D+02
                96            97            98            99           100 
      1  -0.512712D+01  0.407995D+00 -0.680508D+01 -0.530019D+01  0.386544D+01
      2   0.744646D+01  0.132818D+01  0.539720D+01  0.180029D+01 -0.242443D+01
      3  -0.231934D+01 -0.173618D+01  0.140788D+01  0.349990D+01 -0.144101D+01
      4   0.887974D+01  0.271260D+01  0.136445D+02  0.889432D+01 -0.588231D+00
      5   0.833926D+01  0.777006D+01  0.800028D+01  0.673087D+01 -0.221214D+01
      6   0.102503D+02  0.310751D+01  0.128262D+02  0.900506D+01  0.189525D+01
               101           102           103           104           105 
      1  -0.143861D+01 -0.513277D+01 -0.529004D+01 -0.768110D+01 -0.601612D+01
      2   0.598323D+00  0.239524D+00  0.380484D+01 -0.842730D-01 -0.669311D+01
      3   0.840291D+00  0.489324D+01  0.148520D+01  0.776537D+01  0.127092D+02
      4  -0.288006D+00  0.296034D+00  0.197654D+01 -0.159841D+02 -0.109577D+02
      5   0.154572D+01 -0.217260D+00  0.756208D+01 -0.912320D+01 -0.152998D+02
      6   0.164996D+01  0.603350D-01 -0.335783D+00  0.116793D+02  0.989447D+01
               106           107           108           109           110 
      1  -0.394259D+01 -0.397368D+01 -0.105121D+02 -0.104271D+01  0.945462D+01
      2   0.256184D+01 -0.518905D+01 -0.691041D+01  0.171119D+01 -0.650786D+01
      3   0.138075D+01  0.916273D+01  0.174225D+02 -0.668484D+00 -0.294676D+01
      4   0.866693D+00 -0.951540D+01 -0.810261D+01  0.177563D+01 -0.270101D+01
      5   0.438146D+01 -0.685447D+01 -0.138380D+02  0.332860D+00 -0.845816D-01
      6  -0.670769D+00  0.916060D+01  0.737545D+01 -0.354432D+01  0.641179D+01
               111           112           113           114           115 
      1  -0.808949D+01  0.947826D+01 -0.196521D+02  0.124977D+02 -0.419627D+01
      2   0.194118D+01 -0.540567D+01  0.168890D+02 -0.534553D+01  0.877642D+00
      3   0.614831D+01 -0.407259D+01  0.276307D+01 -0.715215D+01  0.331863D+01
      4   0.164635D+01  0.251345D+01  0.158637D+02 -0.102006D+02  0.185873D+00
      5  -0.272017D+01 -0.430052D+01 -0.756019D+01  0.780138D+01  0.215504D+01
      6  -0.537305D+01  0.204898D+01 -0.180904D+02  0.146902D+02 -0.235334D+01
               116           117           118           119           120 
      1   0.996182D+01 -0.134038D+02  0.829394D+02  0.105005D+02 -0.593907D+01
      2  -0.391798D+01  0.154263D+01 -0.414292D+02 -0.332981D+01  0.688326D+01
      3  -0.604383D+01  0.118612D+02 -0.415102D+02 -0.717065D+01 -0.944196D+00
      4  -0.733221D+01  0.510618D+01  0.252188D+02  0.145532D+02 -0.339839D+01
      5   0.438285D+01 -0.665277D+01 -0.296897D+02 -0.499692D+01  0.154097D+02
      6   0.127101D+02 -0.110290D+02 -0.510680D+01 -0.367685D+01  0.296621D+01
               121           122           123           124           125 
      1   0.984464D+01  0.550388D+01  0.302934D+00  0.454572D+01  0.877302D+00
      2  -0.289043D+01 -0.155723D+01 -0.372131D+00  0.253065D+00 -0.315818D+00
      3  -0.695421D+01 -0.394666D+01  0.691961D-01 -0.479878D+01 -0.561485D+00
      4   0.146641D+02  0.687800D+01 -0.325626D+01  0.168809D+01 -0.317092D+00
      5  -0.380532D+01 -0.424035D+01  0.193721D+01  0.820124D+01  0.610636D+00
      6  -0.269649D+01 -0.195337D+01  0.323065D+01  0.169061D+01  0.209456D+01
               126           127           128           129           130 
      1   0.458696D+01 -0.506433D+01 -0.844863D+01 -0.295721D+01 -0.749440D+01
      2  -0.332471D+01  0.620579D+01  0.993972D+01  0.216872D+01  0.895806D+01
      3  -0.126225D+01 -0.114146D+01 -0.149110D+01  0.788487D+00 -0.146367D+01
      4   0.129302D+01  0.348335D+01  0.685729D+01  0.142600D+01  0.503049D+01
      5  -0.110652D+01  0.113704D+01  0.128311D+01  0.184311D+01  0.109096D+01
      6  -0.676165D-02  0.260775D+01  0.399936D+01  0.256125D+01  0.322554D+01
               131           132           133           134           135 
      1  -0.311133D+02 -0.885181D+01 -0.227143D+01 -0.848979D+01 -0.320136D+01
      2   0.398513D+02  0.799343D+01  0.265900D+01  0.102353D+02  0.352020D+01
      3  -0.873799D+01  0.858371D+00 -0.387574D+00 -0.174547D+01 -0.318844D+00
      4  -0.692214D+00 -0.646604D+00  0.146391D+01 -0.107751D+00  0.127286D+01
      5  -0.669898D+00  0.595245D-01  0.976739D+00  0.525876D+00  0.699626D+00
      6   0.135967D+02  0.912443D+01  0.103860D+01  0.485096D+01  0.356490D+01
               136           137           138           139           140 
      1   0.211474D+02 -0.131504D+02 -0.270952D+01 -0.900220D+01  0.320890D+01
      2  -0.368770D+01 -0.128983D+01  0.807581D+00 -0.599052D+01  0.162587D+02
      3  -0.174597D+02  0.144402D+02  0.190194D+01  0.149927D+02 -0.194676D+02
      4  -0.321751D+02  0.297029D+02  0.472117D+01  0.330346D+02 -0.425855D+02
      5  -0.672922D+01  0.490230D+01  0.622588D+01  0.727744D+01 -0.853243D+01
      6   0.264714D+01 -0.238786D+01 -0.309484D+01 -0.462738D+01  0.645167D+01
               141           142           143           144           145 
      1   0.774662D+00 -0.108430D+01 -0.435276D-01 -0.135801D+00  0.981066D+02
      2   0.963729D+00 -0.145472D+01  0.332485D+01  0.106032D+01 -0.548759D+02
      3  -0.173839D+01  0.253902D+01 -0.328132D+01 -0.924520D+00 -0.432307D+02
      4  -0.807541D+01  0.637731D+01 -0.826803D+01 -0.265501D+01  0.128338D+02
      5  -0.613098D+01  0.222938D+01 -0.217715D+01 -0.147597D+01  0.952890D+01
      6   0.610552D+01 -0.162464D+01  0.235573D+01  0.202862D+01 -0.210546D+01
               146           147           148           149           150 
      1   0.827952D+01  0.632205D+01  0.702249D+01  0.913190D+01  0.213419D+01
      2  -0.402784D+01 -0.425601D+01 -0.311453D+01 -0.407370D+01 -0.181304D+01
      3  -0.425167D+01 -0.206603D+01 -0.390796D+01 -0.505819D+01 -0.321146D+00
      4   0.954488D+01  0.691685D+00  0.150488D+02  0.397884D+01  0.140787D+01
      5   0.647479D+00  0.101067D+02  0.416179D+01  0.152997D+01  0.139973D+01
      6   0.277400D+00  0.502883D+00  0.820603D+00 -0.101333D+00  0.161086D+01
               151           152           153           154           155 
      1   0.787939D+01  0.236027D+01  0.260011D+01  0.540935D+01  0.433466D+01
      2  -0.423007D+01 -0.127631D+01 -0.153318D+01  0.305055D+01  0.509347D+01
      3  -0.364931D+01 -0.108396D+01 -0.106693D+01 -0.845990D+01 -0.942814D+01
      4   0.448521D+01  0.160764D+01  0.697611D+00  0.182369D+02  0.228033D+02
      5   0.190603D+01  0.423593D+00  0.127919D+01  0.474158D+01  0.540591D+01
      6   0.723227D-01  0.519760D+00  0.576668D+00  0.360253D+01  0.426135D+01
               156           157           158           159           160 
      1   0.101144D+01 -0.808075D+00 -0.151147D+02 -0.383020D+01  0.183879D+00
      2   0.423439D+00  0.108294D+02  0.353830D+02  0.572097D+01  0.219064D+01
      3  -0.143488D+01 -0.100214D+02 -0.202683D+02 -0.189076D+01 -0.237452D+01
      4   0.554204D+01  0.239254D+02  0.448747D+02  0.106322D+02  0.654221D+01
      5   0.502643D+01  0.591055D+01  0.102902D+02  0.649078D+01  0.234686D+01
      6   0.295787D+01  0.582961D+01  0.138284D+02  0.942260D+01  0.224989D+01
               161           162           163           164           165 
      1  -0.324467D+01 -0.179182D+01 -0.306807D+01  0.682619D+01  0.150936D+01
      2   0.779016D+01  0.278257D+01  0.466961D+01 -0.950509D+01 -0.146750D+01
      3  -0.454549D+01 -0.990747D+00 -0.160153D+01  0.267891D+01 -0.418584D-01
      4   0.120089D+02  0.380000D+01 -0.889311D+01  0.723164D+01  0.550384D+00
      5   0.310855D+01  0.233458D+01  0.726219D+00  0.811125D+00  0.201515D+01
      6   0.483981D+01  0.356591D+01  0.357360D+00 -0.173961D+01 -0.242069D+01
               166           167           168           169           170 
      1   0.826349D+01 -0.195595D+02 -0.375745D+01  0.189354D+01 -0.370899D+01
      2  -0.106991D+02  0.260441D+02  0.309096D+01 -0.240934D+01  0.454166D+01
      3   0.243565D+01 -0.648454D+01  0.666490D+00  0.515796D+00 -0.832670D+00
      4   0.725179D+01 -0.790885D+01 -0.110024D+01  0.831676D+00 -0.119884D+01
      5   0.131616D+01 -0.118703D+01 -0.138016D+01  0.143372D+01 -0.700337D+00
      6  -0.276699D+01  0.528863D+01  0.506165D+01 -0.126263D+01  0.206343D+01
               171           172           173           174           175 
      1  -0.603562D+00 -0.315000D+01 -0.225785D+01  0.957889D+01 -0.101469D+01
      2   0.123555D+01 -0.239108D+00  0.102966D+00  0.142926D+01  0.430958D+00
      3  -0.631993D+00  0.338910D+01  0.215489D+01 -0.110081D+02  0.583732D+00
      4  -0.203902D+01  0.565876D+00 -0.203327D+01 -0.268031D+00  0.309796D+01
      5  -0.885477D+00  0.126977D+01  0.109284D+01 -0.553562D+01 -0.733264D+00
      6   0.137830D+01 -0.105966D+01 -0.138175D+01  0.383750D+01 -0.262304D+00
               176           177           178           179           180 
      1  -0.304004D+01  0.504261D+01  0.831919D+01  0.661268D+01 -0.234326D+02
      2   0.140222D+01  0.218917D+01 -0.399822D+01  0.132982D+01 -0.113461D+02
      3   0.163782D+01 -0.723178D+01 -0.432097D+01 -0.794250D+01  0.347787D+02
      4  -0.586750D+01  0.147640D+01 -0.294480D+01  0.365390D+01 -0.706822D+01
      5   0.187593D+01 -0.100484D+02  0.661599D+01 -0.903902D+01  0.307989D+02
      6  -0.260624D+01  0.803701D+01  0.437157D+00  0.755561D+01 -0.158741D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:35:37 2021, MaxMem=  5368709120 cpu:           11149.1 elap:            1397.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.43270 -10.32985 -10.30144 -10.29802 -10.29683
 Alpha  occ. eigenvalues --  -10.29617 -10.29603 -10.29158 -10.28554  -0.99914
 Alpha  occ. eigenvalues --   -0.95476  -0.86550  -0.84508  -0.81898  -0.72496
 Alpha  occ. eigenvalues --   -0.70033  -0.66315  -0.60506  -0.57398  -0.57123
 Alpha  occ. eigenvalues --   -0.53989  -0.51664  -0.51638  -0.50127  -0.47167
 Alpha  occ. eigenvalues --   -0.45740  -0.45207  -0.44245  -0.41918  -0.41020
 Alpha  occ. eigenvalues --   -0.33436  -0.32831  -0.31656
 Alpha virt. eigenvalues --    0.03444   0.04128   0.04581   0.05222   0.05575
 Alpha virt. eigenvalues --    0.05729   0.05834   0.06187   0.07049   0.07841
 Alpha virt. eigenvalues --    0.08255   0.08667   0.08794   0.11488   0.12505
 Alpha virt. eigenvalues --    0.12755   0.13529   0.13982   0.14195   0.14891
 Alpha virt. eigenvalues --    0.15199   0.15324   0.15815   0.15876   0.16198
 Alpha virt. eigenvalues --    0.16713   0.17422   0.18118   0.18224   0.18598
 Alpha virt. eigenvalues --    0.19128   0.19482   0.20019   0.20218   0.21162
 Alpha virt. eigenvalues --    0.21804   0.22031   0.23030   0.23573   0.24823
 Alpha virt. eigenvalues --    0.25408   0.25848   0.26146   0.27140   0.27791
 Alpha virt. eigenvalues --    0.28333   0.28694   0.29782   0.30216   0.30501
 Alpha virt. eigenvalues --    0.31017   0.31855   0.32384   0.32638   0.32799
 Alpha virt. eigenvalues --    0.33551   0.34399   0.35264   0.35653   0.35912
 Alpha virt. eigenvalues --    0.36742   0.38117   0.38618   0.39150   0.39572
 Alpha virt. eigenvalues --    0.39841   0.40604   0.40877   0.41843   0.42367
 Alpha virt. eigenvalues --    0.43490   0.44887   0.45724   0.46588   0.46739
 Alpha virt. eigenvalues --    0.47595   0.48820   0.49533   0.50189   0.50885
 Alpha virt. eigenvalues --    0.51355   0.51661   0.52532   0.52779   0.53549
 Alpha virt. eigenvalues --    0.55202   0.55853   0.56256   0.56532   0.57506
 Alpha virt. eigenvalues --    0.57948   0.58240   0.59158   0.59820   0.60198
 Alpha virt. eigenvalues --    0.62119   0.62527   0.62961   0.63616   0.63820
 Alpha virt. eigenvalues --    0.64414   0.65087   0.65925   0.66586   0.67110
 Alpha virt. eigenvalues --    0.67255   0.68633   0.69222   0.69831   0.71061
 Alpha virt. eigenvalues --    0.71818   0.72106   0.72680   0.73466   0.73917
 Alpha virt. eigenvalues --    0.74282   0.75204   0.75530   0.75596   0.76833
 Alpha virt. eigenvalues --    0.78292   0.78453   0.79687   0.80751   0.82383
 Alpha virt. eigenvalues --    0.82562   0.83707   0.84863   0.85555   0.86324
 Alpha virt. eigenvalues --    0.86472   0.87547   0.87755   0.88117   0.89155
 Alpha virt. eigenvalues --    0.90122   0.91108   0.92059   0.92957   0.93892
 Alpha virt. eigenvalues --    0.95773   0.96125   0.97147   0.98597   1.01698
 Alpha virt. eigenvalues --    1.02519   1.03270   1.04377   1.05346   1.07125
 Alpha virt. eigenvalues --    1.07703   1.08290   1.09897   1.11784   1.14882
 Alpha virt. eigenvalues --    1.16811   1.18425   1.19607   1.21895   1.25441
 Alpha virt. eigenvalues --    1.27076   1.28356   1.35435   1.38487   1.38747
 Alpha virt. eigenvalues --    1.40393   1.41983   1.42436   1.43836   1.44546
 Alpha virt. eigenvalues --    1.46186   1.47092   1.47745   1.49213   1.50998
 Alpha virt. eigenvalues --    1.51123   1.52912   1.53516   1.55727   1.56816
 Alpha virt. eigenvalues --    1.57205   1.58696   1.59866   1.60391   1.61907
 Alpha virt. eigenvalues --    1.63848   1.64849   1.67537   1.68512   1.71197
 Alpha virt. eigenvalues --    1.72175   1.73545   1.74694   1.75824   1.78264
 Alpha virt. eigenvalues --    1.79052   1.79449   1.80322   1.81947   1.82469
 Alpha virt. eigenvalues --    1.84426   1.85611   1.86590   1.88644   1.90731
 Alpha virt. eigenvalues --    1.91321   1.92821   1.94689   1.95353   1.95825
 Alpha virt. eigenvalues --    1.97270   1.98654   2.00070   2.01875   2.04199
 Alpha virt. eigenvalues --    2.05209   2.06620   2.07572   2.10104   2.11155
 Alpha virt. eigenvalues --    2.11826   2.13741   2.15283   2.16379   2.16579
 Alpha virt. eigenvalues --    2.19197   2.19467   2.21531   2.23566   2.24624
 Alpha virt. eigenvalues --    2.26186   2.28354   2.29954   2.32399   2.33688
 Alpha virt. eigenvalues --    2.34531   2.38796   2.39066   2.41772   2.42411
 Alpha virt. eigenvalues --    2.45356   2.46020   2.51294   2.53807   2.56568
 Alpha virt. eigenvalues --    2.58375   2.60403   2.62102   2.63628   2.65052
 Alpha virt. eigenvalues --    2.65587   2.71094   2.71702   2.76918   2.77664
 Alpha virt. eigenvalues --    2.83068   2.84300   2.86276   2.90331   2.96721
 Alpha virt. eigenvalues --    2.97344   3.02218   3.07887   3.12462   3.13135
 Alpha virt. eigenvalues --    3.17042   3.17822   3.28531   3.48064   3.52395
 Alpha virt. eigenvalues --    3.64660   3.66551   4.61546
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   14.007652  -6.376643   4.510821  -5.614194   4.988336  -5.201456
     2  C   -6.376643  19.440667  -7.692451   2.596130  -4.905716   4.359226
     3  C    4.510821  -7.692451  18.427656  -9.479994   4.066039  -4.937452
     4  C   -5.614194   2.596130  -9.479994  22.085965  -6.475622   4.961944
     5  C    4.988336  -4.905716   4.066039  -6.475622  13.731399  -5.256829
     6  C   -5.201456   4.359226  -4.937452   4.961944  -5.256829  11.997403
     7  C   -0.495455  -0.526418  -2.277166  -0.838528  -0.093913   0.229201
     8  N   -0.041267   0.214302   0.312638  -0.047332  -0.087889   0.020345
     9  C    0.264805  -0.606601   0.292607  -0.431525   0.226151  -0.174182
    10  H   -0.003061  -0.039267   0.042199   0.020574   0.000017   0.002248
    11  H   -0.011255  -0.011071   0.426737  -0.032644  -0.031937   0.015315
    12  H   -0.019445  -0.064167  -0.133924   0.109536   0.005989   0.001405
    13  H   -0.014649   0.044081  -0.195954   0.024349  -0.028410   0.008665
    14  H    0.032779  -0.011607   0.459453  -0.135769   0.015467  -0.012704
    15  H    0.158068  -0.176157   0.937746  -2.205137   0.614545  -0.263593
    16  H   -0.338021   0.202248  -0.335623   0.960856  -1.511177   0.636304
    17  H    0.685945  -0.178753   0.154328  -0.247830   0.640955  -1.373812
    18  H   -1.603375   1.144543  -0.362239   0.211637  -0.369143   0.571447
    19  H    0.765504  -2.063960   0.598535  -0.294484   0.151303  -0.198027
    20  H    0.015016  -0.026345  -0.035545  -0.003109   0.020619  -0.011204
               7          8          9         10         11         12
     1  C   -0.495455  -0.041267   0.264805  -0.003061  -0.011255  -0.019445
     2  C   -0.526418   0.214302  -0.606601  -0.039267  -0.011071  -0.064167
     3  C   -2.277166   0.312638   0.292607   0.042199   0.426737  -0.133924
     4  C   -0.838528  -0.047332  -0.431525   0.020574  -0.032644   0.109536
     5  C   -0.093913  -0.087889   0.226151   0.000017  -0.031937   0.005989
     6  C    0.229201   0.020345  -0.174182   0.002248   0.015315   0.001405
     7  C   11.248481  -0.936257   0.258713  -0.017130  -1.101616  -0.046684
     8  N   -0.936257   7.083806   0.012971   0.239595   0.107052  -0.038475
     9  C    0.258713   0.012971   4.506577  -0.050399   0.164998   0.386076
    10  H   -0.017130   0.239595  -0.050399   1.004314  -0.003815  -0.015031
    11  H   -1.101616   0.107052   0.164998  -0.003815   2.096522   0.090060
    12  H   -0.046684  -0.038475   0.386076  -0.015031   0.090060   1.493894
    13  H    0.195475   0.046632   0.149354   0.015682  -0.069311  -0.277931
    14  H   -0.244260   0.009833   0.105586  -0.017505  -0.004512  -0.329928
    15  H    0.175012  -0.001308   0.053575  -0.004756  -0.092247   0.012617
    16  H    0.020240  -0.001274  -0.001164   0.000103   0.002608  -0.000498
    17  H   -0.014416   0.001051  -0.000811   0.000009   0.000150   0.000256
    18  H    0.053576  -0.005815  -0.004783   0.000688   0.002067   0.000906
    19  H    0.122621  -0.116300   0.075685   0.012503   0.015902  -0.039212
    20  H    0.131416   0.252124  -0.023676  -0.122239  -0.063063   0.008718
              13         14         15         16         17         18
     1  C   -0.014649   0.032779   0.158068  -0.338021   0.685945  -1.603375
     2  C    0.044081  -0.011607  -0.176157   0.202248  -0.178753   1.144543
     3  C   -0.195954   0.459453   0.937746  -0.335623   0.154328  -0.362239
     4  C    0.024349  -0.135769  -2.205137   0.960856  -0.247830   0.211637
     5  C   -0.028410   0.015467   0.614545  -1.511177   0.640955  -0.369143
     6  C    0.008665  -0.012704  -0.263593   0.636304  -1.373812   0.571447
     7  C    0.195475  -0.244260   0.175012   0.020240  -0.014416   0.053576
     8  N    0.046632   0.009833  -0.001308  -0.001274   0.001051  -0.005815
     9  C    0.149354   0.105586   0.053575  -0.001164  -0.000811  -0.004783
    10  H    0.015682  -0.017505  -0.004756   0.000103   0.000009   0.000688
    11  H   -0.069311  -0.004512  -0.092247   0.002608   0.000150   0.002067
    12  H   -0.277931  -0.329928   0.012617  -0.000498   0.000256   0.000906
    13  H    1.593007  -0.291872  -0.021559  -0.001632   0.000180  -0.002185
    14  H   -0.291872   1.664365  -0.001263   0.001005  -0.000086   0.000687
    15  H   -0.021559  -0.001263   2.916415  -0.161414  -0.024763   0.015959
    16  H   -0.001632   0.001005  -0.161414   2.276450  -0.108220  -0.027198
    17  H    0.000180  -0.000086  -0.024763  -0.108220   2.225281  -0.115996
    18  H   -0.002185   0.000687   0.015959  -0.027198  -0.115996   2.314108
    19  H    0.017725   0.003092  -0.050483   0.015755  -0.022141  -0.179983
    20  H   -0.008387   0.006594   0.004785   0.000617   0.000148  -0.001581
              19         20
     1  C    0.765504   0.015016
     2  C   -2.063960  -0.026345
     3  C    0.598535  -0.035545
     4  C   -0.294484  -0.003109
     5  C    0.151303   0.020619
     6  C   -0.198027  -0.011204
     7  C    0.122621   0.131416
     8  N   -0.116300   0.252124
     9  C    0.075685  -0.023676
    10  H    0.012503  -0.122239
    11  H    0.015902  -0.063063
    12  H   -0.039212   0.008718
    13  H    0.017725  -0.008387
    14  H    0.003092   0.006594
    15  H   -0.050483   0.004785
    16  H    0.015755   0.000617
    17  H   -0.022141   0.000148
    18  H   -0.179983  -0.001581
    19  H    3.091542  -0.021041
    20  H   -0.021041   0.948282
 Mulliken charges:
               1
     1  C    0.289894
     2  C    0.677960
     3  C    1.221588
     4  C    0.835176
     5  C    0.299817
     6  C    0.625757
     7  C    0.157107
     8  N   -0.024433
     9  C    0.796044
    10  H   -0.064727
    11  H   -0.499941
    12  H   -0.144162
    13  H   -0.183259
    14  H   -0.249353
    15  H   -0.886041
    16  H   -0.629964
    17  H   -0.621475
    18  H   -0.643321
    19  H   -0.884535
    20  H   -0.072131
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.353428
     2  C   -0.206575
     3  C    1.221588
     4  C   -0.050865
     5  C   -0.330148
     6  C    0.004282
     7  C   -0.342834
     8  N   -0.161291
     9  C    0.219270
 Electronic spatial extent (au):  <R**2>=           1286.3553
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.6945    Y=             -0.8422    Z=             -0.6391  Tot=              1.2650
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -48.8138   YY=            -53.8761   ZZ=            -56.0742
   XY=              1.7362   XZ=              2.2601   YZ=              0.9377
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              4.1076   YY=             -0.9547   ZZ=             -3.1528
   XY=              1.7362   XZ=              2.2601   YZ=              0.9377
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -10.6263  YYY=             -2.4261  ZZZ=             -6.8194  XYY=              6.2813
  XXY=             -2.3400  XXZ=             -5.3621  XZZ=            -11.8936  YZZ=              3.0846
  YYZ=             -0.4240  XYZ=              4.0294
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1083.0058 YYYY=           -355.0709 ZZZZ=           -194.9103 XXXY=             -3.5682
 XXXZ=             30.8231 YYYX=              5.9733 YYYZ=              9.5581 ZZZX=             14.8002
 ZZZY=             -9.1764 XXYY=           -262.4797 XXZZ=           -240.0347 YYZZ=            -93.5663
 XXYZ=              1.5769 YYXZ=              3.0012 ZZXY=             -6.4699
 N-N= 4.257337017677D+02 E-N=-1.700721329863D+03  KE= 3.638980135610D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:35:38 2021, MaxMem=  5368709120 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.81616381D-01-3.09909963D-01-2.76521489D-01
 Polarizability= 1.26371264D+02 4.02624642D-01 1.00539729D+02
                 1.05229610D+00 5.47513741D+00 7.12755021D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6082   -0.6088        0.0712    0.0690
 2      0.6082    0.6088       -2.9009   -2.9018      -13.1097  -13.1076
 3     -0.0712   -0.0690       27.7857   27.7867        2.9010    2.9018
 4      2.9009    2.9018       -0.0000    0.0000       -0.0736   -0.0690
 5    -14.6760  -14.6791        0.0736    0.0690       -0.6088   -0.6088
 6     -2.9010   -2.9018        0.6088    0.6088       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.8265    1.8265        0.2070    0.2070
 2      8.7054    8.7054        0.0000    0.0000        0.2070    0.2070
 3      8.7054    8.7054        1.8265    1.8265       -0.0000    0.0000
 4      1.8265    1.8265       -8.7054   -8.7054      -39.3229  -39.3229
 5     -0.2070   -0.2070       83.3601   83.3601        8.7054    8.7054
 6    -44.0372  -44.0372        0.2070    0.2070       -1.8265   -1.8265
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1031    0.0000        2.2749    2.4353        0.1392   -0.2760
 2     -2.5378   -2.4353       11.6025   11.6072       52.5459   52.4305
 3      0.1056    0.2760     -111.1967 -111.1468      -11.2922  -11.6072
 4    -11.8739  -11.6072        0.0730    0.0000        0.2708    0.2760
 5     58.4581   58.7163       -0.3860   -0.2760        2.3292    2.4353
 6     11.7412   11.6072       -2.4680   -2.4353        0.0981    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2065    0.0000       -3.4189   -3.4730       -6.1825   -5.7657
 2      3.4927    3.4730      -43.5671  -43.6149      -31.7258  -31.2323
 3      5.7154    5.7657      -23.0132  -22.1415       44.3948   43.6149
 4     43.5735   43.6149        0.0899    0.0000        5.8652    5.7657
 5     53.8400   53.3738       -6.3834   -5.7657       -3.1719   -3.4730
 6    -43.7628  -43.6149        3.3201    3.4730        0.3280    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     28.9938   29.2346        1.5488    1.5497       14.9486   14.4123
 2     94.4347   94.4713       -3.7928   -3.9437       14.7493   14.4123
 3     94.3937   94.4713        1.7177    1.5497       10.7092   10.2450
 4      5.3324    5.4934      -65.2986  -65.2367      -37.6390  -37.6175
 5     -4.1114   -4.1673      -44.9730  -44.6216       65.4945   65.2367
 6     82.8163   82.2391        3.3942    4.1673       -4.4053   -5.4934
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.8196   -4.9323   -0.0007   -0.0005   -0.0004    1.7214
 Low frequencies ---   43.8680  127.6567  215.2272
 Diagonal vibrational polarizability:
       18.3534058       8.4396374      12.7888768
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     43.8646               127.6567               215.2272
 Red. masses --      3.2047                 3.1311                 1.9465
 Frc consts  --      0.0036                 0.0301                 0.0531
 IR Inten    --      0.4220                 2.1227                 0.8102
 RamAct Fr= 1--      3.7677                 4.2101                 0.2709
  Dep-P Fr= 1--      0.7500                 0.7465                 0.3839
  Dep-U Fr= 1--      0.8571                 0.8549                 0.5548
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0021
 Beta2  Fr= 1--      0.5382                 0.5999                 0.0250
 AlphaG Fr= 1--     -0.0000                 0.0012                -0.0020
 Gamma2 Fr= 1--     -0.4754                -0.2158                -0.0479
 Delta2 Fr= 1--     -0.7280                 0.0098                -0.0970
 Raman1 Fr= 1--      15.071                 16.840                  1.084
 ROA1   Fr= 1--     -68.937                -20.399                 -7.705
 CID1   Fr= 1--      -4.574                 -1.211                 -7.111
 Raman2 Fr= 1--       6.459                  7.198                  0.301
 ROA2   Fr= 1--      -5.586                 -5.257                 -0.374
 CID2   Fr= 1--      -0.865                 -0.730                 -1.244
 Raman3 Fr= 1--      12.918                 14.396                  0.601
 ROA3   Fr= 1--     -68.937                -20.399                 -7.705
 CID3   Fr= 1--      -5.337                 -1.417                -12.817
 RC180  Fr= 1--       0.714                  0.710                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.13    -0.02  -0.03   0.08    -0.11   0.01  -0.01
     2   6    -0.02  -0.06   0.16    -0.01   0.02  -0.11    -0.08  -0.08  -0.04
     3   6    -0.00  -0.03   0.04    -0.00   0.04  -0.17    -0.01  -0.11  -0.05
     4   6     0.02   0.02  -0.12    -0.01   0.03  -0.14     0.04  -0.07  -0.03
     5   6     0.02   0.04  -0.16    -0.02  -0.02   0.05     0.03   0.02   0.01
     6   6    -0.00   0.01  -0.03    -0.03  -0.06   0.19    -0.05   0.06   0.02
     7   6    -0.00  -0.04   0.06    -0.00   0.01  -0.04    -0.01  -0.02  -0.01
     8   7     0.04  -0.13  -0.15    -0.13  -0.04  -0.00     0.11   0.08   0.04
     9   6    -0.03   0.21   0.08     0.22   0.06   0.07     0.05   0.06   0.03
    10   1     0.04  -0.13  -0.19    -0.14  -0.05   0.22     0.10   0.15  -0.05
    11   1    -0.00  -0.13   0.21    -0.05  -0.03   0.03    -0.14   0.00  -0.02
    12   1    -0.03   0.32  -0.06     0.28   0.11  -0.02     0.49  -0.09   0.12
    13   1    -0.06   0.29   0.24     0.35   0.12   0.05    -0.26  -0.19  -0.13
    14   1    -0.03   0.22   0.09     0.22   0.00   0.26    -0.03   0.52   0.14
    15   1     0.03   0.04  -0.21    -0.01   0.04  -0.19     0.10  -0.10  -0.02
    16   1     0.04   0.08  -0.28    -0.03  -0.04   0.10     0.09   0.06   0.04
    17   1    -0.00   0.03  -0.06    -0.04  -0.11   0.37    -0.06   0.11   0.05
    18   1    -0.04  -0.05   0.23    -0.02  -0.05   0.17    -0.17   0.04  -0.00
    19   1    -0.04  -0.09   0.27    -0.00   0.03  -0.15    -0.15  -0.13  -0.06
    20   1     0.09  -0.27  -0.16    -0.33  -0.11  -0.08     0.20   0.14   0.09
                      4                      5                      6
                      A                      A                      A
 Frequencies --    256.6705               283.4791               309.1102
 Red. masses --      1.3623                 1.1682                 3.0174
 Frc consts  --      0.0529                 0.0553                 0.1699
 IR Inten    --     14.6442                21.7654                 2.4705
 RamAct Fr= 1--      0.1639                 1.3188                 0.9463
  Dep-P Fr= 1--      0.5765                 0.4409                 0.1543
  Dep-U Fr= 1--      0.7314                 0.6120                 0.2673
 Alpha2 Fr= 1--      0.0005                 0.0084                 0.0145
 Beta2  Fr= 1--      0.0200                 0.1345                 0.0422
 AlphaG Fr= 1--     -0.0029                -0.0071                 0.0004
 Gamma2 Fr= 1--     -0.0310                -0.1366                -0.6231
 Delta2 Fr= 1--      0.0059                -0.0600                -0.1213
 Raman1 Fr= 1--       0.655                  5.275                  3.785
 ROA1   Fr= 1--      -2.788                -15.030                -63.697
 CID1   Fr= 1--      -4.254                 -2.849                -16.827
 Raman2 Fr= 1--       0.240                  1.614                  0.506
 ROA2   Fr= 1--      -0.792                 -2.798                -13.984
 CID2   Fr= 1--      -3.302                 -1.733                -27.638
 Raman3 Fr= 1--       0.479                  3.228                  1.012
 ROA3   Fr= 1--      -2.788                -15.030                -63.697
 CID3   Fr= 1--      -5.816                 -4.656                -62.948
 RC180  Fr= 1--       0.463                  0.224                 -0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.00  -0.00     0.03  -0.00   0.01    -0.04  -0.01   0.05
     2   6    -0.04  -0.05  -0.02     0.03  -0.01   0.01    -0.05  -0.01   0.16
     3   6     0.01  -0.07  -0.02     0.02  -0.00   0.01    -0.02   0.02   0.03
     4   6     0.04  -0.05  -0.00     0.03   0.00   0.01    -0.07  -0.04   0.16
     5   6     0.03   0.01   0.00     0.03   0.01  -0.00    -0.07  -0.02   0.03
     6   6    -0.01   0.03   0.00     0.04   0.01  -0.01    -0.05   0.02  -0.16
     7   6    -0.00  -0.00  -0.01    -0.00   0.00  -0.01     0.02   0.04  -0.11
     8   7     0.07   0.07   0.04    -0.05  -0.02  -0.00     0.02   0.03  -0.11
     9   6    -0.02   0.03  -0.02    -0.06   0.02  -0.04     0.22  -0.02  -0.04
    10   1     0.02   0.30   0.39    -0.10   0.17   0.53    -0.01   0.14   0.13
    11   1    -0.07   0.02  -0.03     0.00  -0.00  -0.01     0.02   0.04  -0.11
    12   1    -0.39   0.23  -0.19     0.16  -0.10   0.07     0.35  -0.06  -0.03
    13   1     0.27   0.31   0.20    -0.30  -0.15  -0.12     0.37  -0.02  -0.19
    14   1     0.05  -0.39  -0.06    -0.11   0.31  -0.07     0.21  -0.06   0.19
    15   1     0.07  -0.07  -0.00     0.04  -0.00   0.01    -0.11  -0.04   0.25
    16   1     0.07   0.04   0.00     0.03   0.01  -0.01    -0.07  -0.03   0.03
    17   1    -0.02   0.07   0.00     0.04   0.01  -0.02    -0.04   0.06  -0.37
    18   1    -0.09   0.01   0.00     0.03   0.00   0.01    -0.02  -0.02   0.06
    19   1    -0.07  -0.08  -0.05     0.03  -0.00  -0.01    -0.06  -0.04   0.24
    20   1    -0.21  -0.12  -0.09    -0.49  -0.30  -0.21    -0.18  -0.14  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    368.5042               416.7400               483.8809
 Red. masses --      2.8724                 2.9574                 3.1929
 Frc consts  --      0.2298                 0.3026                 0.4405
 IR Inten    --     10.5867                 0.0593                 3.4040
 RamAct Fr= 1--      1.0611                 0.0160                 3.1024
  Dep-P Fr= 1--      0.3005                 0.4499                 0.0857
  Dep-U Fr= 1--      0.4621                 0.6206                 0.1578
 Alpha2 Fr= 1--      0.0109                 0.0001                 0.0563
 Beta2  Fr= 1--      0.0817                 0.0017                 0.0816
 AlphaG Fr= 1--      0.0047                -0.0023                -0.0079
 Gamma2 Fr= 1--      0.6703                -0.2094                 0.1054
 Delta2 Fr= 1--      0.1690                -0.0349                -0.0966
 Raman1 Fr= 1--       4.244                  0.064                 12.410
 ROA1   Fr= 1--      69.752                -21.224                  7.024
 CID1   Fr= 1--      16.434               -332.283                  0.566
 Raman2 Fr= 1--       0.981                  0.020                  0.979
 ROA2   Fr= 1--      14.734                 -4.747                  3.302
 CID2   Fr= 1--      15.024               -239.499                  3.372
 Raman3 Fr= 1--       1.961                  0.040                  1.958
 ROA3   Fr= 1--      69.752                -21.224                  7.024
 CID3   Fr= 1--      35.562               -535.417                  3.587
 RC180  Fr= 1--      -0.076                  0.241                 -0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.03     0.01   0.05  -0.20    -0.04   0.03   0.02
     2   6    -0.02   0.10  -0.06    -0.02  -0.05   0.21    -0.04   0.10   0.01
     3   6    -0.01   0.06   0.06     0.00  -0.00   0.01     0.06   0.06  -0.00
     4   6    -0.09   0.06  -0.06     0.01   0.05  -0.21    -0.06   0.00   0.01
     5   6    -0.10  -0.00  -0.05    -0.02  -0.05   0.20    -0.08  -0.05  -0.01
     6   6    -0.09  -0.04   0.07    -0.01  -0.00   0.00    -0.12  -0.03  -0.03
     7   6     0.04  -0.01   0.09     0.01  -0.00  -0.00     0.18  -0.11  -0.06
     8   7     0.24  -0.02  -0.09     0.01  -0.00  -0.00     0.07  -0.13   0.19
     9   6     0.01  -0.11   0.07     0.00   0.00  -0.00     0.03   0.10  -0.15
    10   1     0.18   0.36   0.25     0.00   0.03   0.06     0.08  -0.17   0.27
    11   1     0.07  -0.04   0.12     0.02  -0.01   0.00     0.26  -0.11  -0.09
    12   1     0.02  -0.22   0.22    -0.00   0.01  -0.01     0.04   0.25  -0.36
    13   1     0.01  -0.18  -0.06     0.00   0.01   0.00    -0.21   0.14   0.16
    14   1     0.01  -0.12   0.05     0.00   0.00  -0.01     0.01   0.29  -0.32
    15   1    -0.15   0.10  -0.12     0.02   0.11  -0.44    -0.17   0.05   0.03
    16   1    -0.11   0.00  -0.11    -0.03  -0.11   0.43    -0.07  -0.04  -0.00
    17   1    -0.09  -0.10   0.16    -0.01  -0.00   0.01    -0.12  -0.05  -0.06
    18   1     0.04   0.02  -0.07     0.03   0.11  -0.44     0.05  -0.02   0.04
    19   1    -0.01   0.12  -0.16    -0.03  -0.10   0.43    -0.07   0.07   0.02
    20   1     0.03  -0.48  -0.23    -0.04  -0.04  -0.02    -0.01   0.20   0.21
                     10                     11                     12
                      A                      A                      A
 Frequencies --    549.3697               600.3454               638.3303
 Red. masses --      3.0269                 3.1719                 6.3917
 Frc consts  --      0.5382                 0.6736                 1.5345
 IR Inten    --     14.2941                14.8649                 0.1232
 RamAct Fr= 1--      0.4584                 1.1973                 4.3911
  Dep-P Fr= 1--      0.2471                 0.6501                 0.7412
  Dep-U Fr= 1--      0.3963                 0.7879                 0.8514
 Alpha2 Fr= 1--      0.0055                 0.0021                 0.0007
 Beta2  Fr= 1--      0.0303                 0.1572                 0.6231
 AlphaG Fr= 1--     -0.0006                 0.0018                -0.0040
 Gamma2 Fr= 1--      0.0973                -0.0903                -0.0312
 Delta2 Fr= 1--      0.0026                -0.1232                -0.0463
 Raman1 Fr= 1--       1.834                  4.789                 17.564
 ROA1   Fr= 1--       9.425                -12.606                 -4.481
 CID1   Fr= 1--       5.140                 -2.632                 -0.255
 Raman2 Fr= 1--       0.363                  1.887                  7.477
 ROA2   Fr= 1--       2.315                 -1.181                 -0.379
 CID2   Fr= 1--       6.371                 -0.626                 -0.051
 Raman3 Fr= 1--       0.727                  3.774                 14.954
 ROA3   Fr= 1--       9.425                -12.606                 -4.481
 CID3   Fr= 1--      12.970                 -3.341                 -0.300
 RC180  Fr= 1--      -0.207                  0.576                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.03  -0.13    -0.07   0.07   0.03    -0.22  -0.26  -0.07
     2   6    -0.02  -0.02   0.04    -0.02   0.02  -0.01    -0.26   0.18   0.02
     3   6     0.00  -0.08   0.27     0.16  -0.02  -0.02    -0.01   0.13   0.03
     4   6     0.01  -0.04   0.05     0.04  -0.16  -0.05     0.21   0.22   0.06
     5   6     0.02   0.02  -0.14     0.02  -0.10  -0.01     0.29  -0.21  -0.03
     6   6    -0.03  -0.05   0.18    -0.16   0.01  -0.03     0.01  -0.14  -0.04
     7   6     0.02   0.03  -0.05     0.17   0.20   0.12     0.00   0.01   0.01
     8   7    -0.08   0.03  -0.01    -0.08   0.05  -0.05    -0.01   0.04  -0.01
     9   6     0.07   0.03  -0.08    -0.01   0.00   0.02    -0.01  -0.00   0.02
    10   1    -0.05  -0.14  -0.02    -0.02  -0.43  -0.10    -0.00   0.01  -0.03
    11   1     0.09   0.07  -0.12     0.14   0.18   0.16     0.03   0.02   0.01
    12   1     0.15   0.06  -0.14    -0.26  -0.17   0.33    -0.01  -0.02   0.05
    13   1     0.14   0.06  -0.09    -0.09  -0.12  -0.12    -0.00  -0.01   0.00
    14   1     0.07   0.03   0.05     0.03  -0.08  -0.32    -0.01  -0.01   0.02
    15   1     0.02   0.04  -0.24    -0.04  -0.13  -0.00     0.06   0.28   0.08
    16   1     0.06   0.12  -0.48     0.17   0.00   0.07     0.16  -0.31  -0.03
    17   1    -0.03  -0.04   0.21    -0.16   0.04  -0.01    -0.04   0.28   0.06
    18   1     0.01   0.11  -0.48    -0.00   0.03   0.08    -0.06  -0.33  -0.06
    19   1    -0.02   0.03  -0.25    -0.17  -0.11  -0.01    -0.14   0.26   0.06
    20   1    -0.11   0.11  -0.02    -0.15  -0.15  -0.11    -0.01  -0.01  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    716.6841               768.9730               779.6976
 Red. masses --      1.7146                 3.2334                 1.9162
 Frc consts  --      0.5189                 1.1265                 0.6864
 IR Inten    --     44.9095                 9.0837                26.8328
 RamAct Fr= 1--      0.1542                17.6818                 1.4212
  Dep-P Fr= 1--      0.3388                 0.0193                 0.7489
  Dep-U Fr= 1--      0.5061                 0.0378                 0.8564
 Alpha2 Fr= 1--      0.0014                 0.3756                 0.0000
 Beta2  Fr= 1--      0.0130                 0.1114                 0.2029
 AlphaG Fr= 1--     -0.0003                -0.0450                 0.0007
 Gamma2 Fr= 1--     -0.0348                 0.3181                 0.4318
 Delta2 Fr= 1--      0.0088                 0.2363                -0.0436
 Raman1 Fr= 1--       0.617                 70.727                  5.685
 ROA1   Fr= 1--      -3.055                 38.102                 40.059
 CID1   Fr= 1--      -4.954                  0.539                  7.047
 Raman2 Fr= 1--       0.156                  1.337                  2.434
 ROA2   Fr= 1--      -0.905                  5.744                 10.713
 CID2   Fr= 1--      -5.795                  4.297                  4.401
 Raman3 Fr= 1--       0.312                  2.674                  4.869
 ROA3   Fr= 1--      -3.055                 38.102                 40.059
 CID3   Fr= 1--      -9.788                 14.250                  8.228
 RC180  Fr= 1--       0.012                 -0.924                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03  -0.14     0.07   0.18   0.04     0.01   0.01   0.02
     2   6    -0.01  -0.02   0.07     0.04   0.16   0.06     0.01   0.03  -0.08
     3   6     0.01   0.02  -0.09     0.10   0.02  -0.03    -0.00  -0.05   0.21
     4   6    -0.00  -0.01   0.07     0.07  -0.12  -0.01     0.01   0.01  -0.09
     5   6     0.01   0.04  -0.14     0.09  -0.14  -0.04     0.01  -0.02   0.00
     6   6    -0.00  -0.02   0.06    -0.15  -0.03   0.01    -0.01   0.03  -0.13
     7   6     0.00  -0.00   0.00    -0.13  -0.11  -0.09    -0.02  -0.02  -0.01
     8   7     0.01  -0.00   0.00    -0.03   0.00  -0.04    -0.02   0.02  -0.01
     9   6    -0.00   0.00  -0.00    -0.08  -0.04   0.08     0.01  -0.00  -0.03
    10   1     0.00   0.01   0.02    -0.08   0.45   0.01    -0.02  -0.01  -0.01
    11   1    -0.02  -0.00   0.01    -0.10  -0.08  -0.12     0.04   0.02  -0.08
    12   1    -0.03  -0.01   0.02     0.14   0.06  -0.12     0.12   0.04  -0.11
    13   1    -0.02  -0.01   0.00     0.03   0.05   0.16     0.08   0.04  -0.02
    14   1     0.00  -0.00  -0.03    -0.11   0.00   0.41    -0.01   0.01   0.14
    15   1    -0.03  -0.12   0.50    -0.04  -0.07  -0.02    -0.00  -0.02   0.03
    16   1    -0.02  -0.06   0.23     0.26   0.00  -0.08    -0.01  -0.13   0.53
    17   1    -0.04  -0.14   0.56    -0.14  -0.03  -0.09    -0.05  -0.14   0.52
    18   1    -0.01  -0.05   0.20     0.31   0.10  -0.06    -0.01  -0.11   0.49
    19   1    -0.02  -0.10   0.46    -0.05   0.10   0.02    -0.00   0.01  -0.02
    20   1    -0.00  -0.02  -0.01     0.07   0.27   0.04    -0.03   0.01  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    842.9749               864.3076               921.9632
 Red. masses --      1.3856                 1.2554                 2.0579
 Frc consts  --      0.5801                 0.5525                 1.0306
 IR Inten    --     95.5088                 3.2954                 3.0032
 RamAct Fr= 1--      1.2454                 2.0262                 5.3811
  Dep-P Fr= 1--      0.6741                 0.7498                 0.5878
  Dep-U Fr= 1--      0.8053                 0.8570                 0.7404
 Alpha2 Fr= 1--      0.0017                 0.0000                 0.0163
 Beta2  Fr= 1--      0.1672                 0.2894                 0.6640
 AlphaG Fr= 1--      0.0054                 0.0001                 0.0005
 Gamma2 Fr= 1--     -1.0970                 0.9642                 0.8650
 Delta2 Fr= 1--     -0.6879                 0.8648                -0.4395
 Raman1 Fr= 1--       4.981                  8.105                 21.524
 ROA1   Fr= 1--    -127.329                120.238                 68.975
 CID1   Fr= 1--     -25.561                 14.836                  3.205
 Raman2 Fr= 1--       2.006                  3.473                  7.968
 ROA2   Fr= 1--     -20.826                 16.223                 24.276
 CID2   Fr= 1--     -10.383                  4.671                  3.047
 Raman3 Fr= 1--       4.012                  6.946                 15.936
 ROA3   Fr= 1--    -127.329                120.238                 68.975
 CID3   Fr= 1--     -31.740                 17.311                  4.328
 RC180  Fr= 1--       0.611                  0.714                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.02     0.01   0.02  -0.08    -0.03  -0.05  -0.00
     2   6    -0.00  -0.02  -0.02     0.00   0.02  -0.05    -0.01  -0.04   0.03
     3   6     0.00  -0.00   0.02    -0.00   0.00  -0.01     0.04   0.01  -0.02
     4   6    -0.00  -0.01   0.01    -0.00  -0.02   0.07    -0.01   0.01   0.06
     5   6     0.01  -0.00   0.01    -0.01  -0.02   0.07    -0.05   0.05  -0.01
     6   6     0.00   0.01  -0.01    -0.00   0.00  -0.01     0.02   0.01  -0.05
     7   6    -0.01   0.08   0.01     0.00  -0.02  -0.00     0.14  -0.03  -0.09
     8   7    -0.01  -0.13  -0.03     0.00   0.03   0.01    -0.03   0.05  -0.09
     9   6     0.01   0.05  -0.01    -0.00  -0.01   0.01    -0.03  -0.08   0.16
    10   1    -0.06   0.47   0.25     0.01  -0.09  -0.04    -0.04   0.11   0.11
    11   1     0.05  -0.07   0.21    -0.01   0.01  -0.04     0.24   0.00  -0.15
    12   1    -0.10  -0.11   0.24     0.02   0.02  -0.05    -0.07   0.07  -0.02
    13   1     0.09  -0.05  -0.26    -0.02   0.01   0.06    -0.26  -0.02   0.49
    14   1     0.04  -0.11  -0.10    -0.01   0.03   0.02    -0.05   0.11   0.01
    15   1     0.01   0.03  -0.13     0.03   0.12  -0.48     0.00   0.10  -0.26
    16   1     0.01   0.02  -0.07     0.03   0.12  -0.47    -0.10  -0.01   0.08
    17   1    -0.00   0.01   0.06    -0.01  -0.02   0.07    -0.00  -0.09   0.31
    18   1    -0.04  -0.04   0.12    -0.03  -0.12   0.52    -0.08  -0.01  -0.10
    19   1    -0.02  -0.05   0.08    -0.02  -0.08   0.41    -0.01  -0.00  -0.23
    20   1     0.10   0.60   0.15    -0.03  -0.12  -0.03    -0.13   0.44  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    934.0109               968.6877               990.1679
 Red. masses --      1.4990                 1.3062                 1.2879
 Frc consts  --      0.7704                 0.7221                 0.7439
 IR Inten    --      4.0049                 0.0239                 1.1194
 RamAct Fr= 1--      1.1849                 0.0343                 0.4738
  Dep-P Fr= 1--      0.6625                 0.3055                 0.2169
  Dep-U Fr= 1--      0.7970                 0.4680                 0.3565
 Alpha2 Fr= 1--      0.0018                 0.0003                 0.0061
 Beta2  Fr= 1--      0.1574                 0.0027                 0.0282
 AlphaG Fr= 1--     -0.0064                 0.0060                -0.0049
 Gamma2 Fr= 1--     -1.3340                 0.2416                 0.3634
 Delta2 Fr= 1--      0.1390                -0.0815                -0.2283
 Raman1 Fr= 1--       4.740                  0.137                  1.895
 ROA1   Fr= 1--    -123.613                 20.583                 27.579
 CID1   Fr= 1--     -26.081                150.100                 14.552
 Raman2 Fr= 1--       1.889                  0.032                  0.338
 ROA2   Fr= 1--     -33.127                  6.449                 10.548
 CID2   Fr= 1--     -17.539                200.978                 31.222
 Raman3 Fr= 1--       3.778                  0.064                  0.676
 ROA3   Fr= 1--    -123.613                 20.583                 27.579
 CID3   Fr= 1--     -32.723                320.706                 40.816
 RC180  Fr= 1--       0.594                 -0.064                 -0.287
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.04    -0.00  -0.00   0.02    -0.01  -0.03   0.10
     2   6    -0.00   0.00   0.07     0.00   0.01  -0.06     0.01   0.02  -0.10
     3   6    -0.02   0.01  -0.08    -0.00  -0.00   0.01     0.00  -0.00   0.02
     4   6    -0.00  -0.03   0.10    -0.00  -0.02   0.08     0.00   0.00   0.00
     5   6     0.02  -0.01  -0.03     0.01   0.03  -0.11    -0.00  -0.00   0.02
     6   6     0.00   0.02  -0.09    -0.01  -0.02   0.06    -0.01   0.01  -0.04
     7   6    -0.05   0.01   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
     8   7     0.02  -0.02   0.04     0.00   0.00   0.00    -0.00   0.01  -0.01
     9   6     0.01   0.03  -0.04    -0.00   0.00   0.00    -0.00  -0.00  -0.01
    10   1     0.03  -0.06  -0.06     0.01  -0.02   0.00    -0.00   0.00   0.02
    11   1    -0.15  -0.02   0.08     0.01  -0.00  -0.00     0.03   0.00  -0.01
    12   1    -0.03  -0.04   0.06     0.01   0.00  -0.00     0.02   0.01  -0.02
    13   1     0.05  -0.02  -0.16     0.01   0.01  -0.01     0.01   0.01   0.01
    14   1     0.03  -0.05  -0.08    -0.01  -0.00   0.03    -0.01   0.01   0.04
    15   1     0.04   0.12  -0.53     0.03   0.12  -0.49    -0.00  -0.01   0.05
    16   1     0.03  -0.03   0.09    -0.04  -0.16   0.65     0.01   0.04  -0.14
    17   1    -0.04  -0.14   0.55     0.02   0.10  -0.41    -0.03  -0.07   0.29
    18   1     0.06   0.07  -0.23    -0.00   0.00  -0.02     0.03   0.15  -0.62
    19   1     0.03   0.11  -0.34    -0.01  -0.06   0.28    -0.02  -0.15   0.66
    20   1     0.06  -0.21   0.03    -0.01  -0.01  -0.01    -0.02   0.01  -0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1005.2777              1025.6755              1053.7685
 Red. masses --      1.6119                 6.0827                 2.2093
 Frc consts  --      0.9598                 3.7702                 1.4454
 IR Inten    --      3.0317                 0.0127                 6.1476
 RamAct Fr= 1--      7.0302                53.8806                22.9649
  Dep-P Fr= 1--      0.4230                 0.0436                 0.0374
  Dep-U Fr= 1--      0.5945                 0.0835                 0.0721
 Alpha2 Fr= 1--      0.0479                 1.0807                 0.4674
 Beta2  Fr= 1--      0.6966                 0.7501                 0.2759
 AlphaG Fr= 1--     -0.0248                 0.0438                 0.0060
 Gamma2 Fr= 1--      1.2022                -0.4034                -0.4925
 Delta2 Fr= 1--      0.7294                -0.1158                -0.0400
 Raman1 Fr= 1--      28.121                215.522                 91.860
 ROA1   Fr= 1--     138.749                -42.429                -48.563
 CID1   Fr= 1--       4.934                 -0.197                 -0.529
 Raman2 Fr= 1--       8.359                  9.001                  3.310
 ROA2   Fr= 1--      23.017                 -8.754                -11.501
 CID2   Fr= 1--       2.753                 -0.973                 -3.474
 Raman3 Fr= 1--      16.718                 18.002                  6.621
 ROA3   Fr= 1--     138.749                -42.429                -48.563
 CID3   Fr= 1--       8.299                 -2.357                 -7.335
 RC180  Fr= 1--       0.189                 -0.833                 -0.856
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.01    -0.01  -0.04  -0.01     0.00   0.19   0.05
     2   6     0.01  -0.03   0.00    -0.24   0.31   0.05    -0.04  -0.08  -0.03
     3   6     0.02   0.01  -0.02     0.01  -0.01   0.01    -0.03  -0.01   0.00
     4   6     0.00   0.01   0.00    -0.14  -0.34  -0.10    -0.05   0.07   0.01
     5   6    -0.01   0.01   0.00    -0.03   0.04   0.01     0.05  -0.18  -0.04
     6   6    -0.02   0.00  -0.00     0.38   0.04   0.03     0.13   0.01   0.01
     7   6     0.03   0.08  -0.10     0.03   0.01  -0.04     0.02   0.01  -0.02
     8   7     0.07  -0.06   0.04     0.02  -0.01   0.00     0.01  -0.00  -0.00
     9   6    -0.14   0.03   0.04    -0.02   0.01   0.02     0.00  -0.00   0.02
    10   1     0.11  -0.45   0.13     0.03  -0.12   0.05     0.02  -0.07   0.02
    11   1     0.12   0.11  -0.18    -0.03   0.02  -0.03     0.02   0.01  -0.03
    12   1     0.17  -0.07   0.10    -0.01  -0.03   0.07    -0.02  -0.00   0.02
    13   1     0.29   0.08  -0.26     0.02  -0.00  -0.03    -0.02  -0.01   0.03
    14   1    -0.15  -0.14   0.62    -0.02  -0.03   0.06     0.00   0.01  -0.02
    15   1    -0.01   0.02   0.02    -0.11  -0.38  -0.08    -0.37   0.20   0.03
    16   1    -0.01   0.02  -0.02    -0.03   0.02  -0.01    -0.25  -0.41  -0.12
    17   1    -0.02   0.02   0.03     0.40   0.02   0.04     0.14  -0.00   0.01
    18   1    -0.04  -0.01  -0.01     0.00  -0.02  -0.04    -0.34   0.34   0.05
    19   1     0.01  -0.02  -0.04    -0.24   0.31   0.13    -0.33  -0.30  -0.06
    20   1    -0.14   0.06  -0.02    -0.06   0.07  -0.02    -0.03   0.04  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1067.0634              1106.8477              1133.0728
 Red. masses --      1.6760                 1.6605                 2.1414
 Frc consts  --      1.1243                 1.1986                 1.6198
 IR Inten    --     10.7573                 4.6372                12.0688
 RamAct Fr= 1--      4.0427                 5.8008                 3.6558
  Dep-P Fr= 1--      0.1515                 0.1393                 0.5884
  Dep-U Fr= 1--      0.2632                 0.2446                 0.7409
 Alpha2 Fr= 1--      0.0623                 0.0921                 0.0110
 Beta2  Fr= 1--      0.1773                 0.2365                 0.4514
 AlphaG Fr= 1--      0.0096                 0.0439                 0.0444
 Gamma2 Fr= 1--      0.5487                 1.7213                -3.2511
 Delta2 Fr= 1--     -0.4733                 0.7085                -0.8779
 Raman1 Fr= 1--      16.171                 23.203                 14.623
 ROA1   Fr= 1--      37.526                187.921               -340.196
 CID1   Fr= 1--       2.321                  8.099                -23.264
 Raman2 Fr= 1--       2.128                  2.838                  5.417
 ROA2   Fr= 1--      16.954                 35.644                -71.002
 CID2   Fr= 1--       7.968                 12.561                -13.107
 Raman3 Fr= 1--       4.255                  5.675                 10.834
 ROA3   Fr= 1--      37.526                187.921               -340.196
 CID3   Fr= 1--       8.818                 33.112                -31.401
 RC180  Fr= 1--      -0.474                 -0.511                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.01    -0.02  -0.02  -0.01     0.04   0.04   0.01
     2   6    -0.04   0.04  -0.00     0.09  -0.01  -0.00    -0.05   0.01  -0.01
     3   6    -0.03  -0.07   0.02    -0.08   0.01   0.03    -0.08  -0.03   0.03
     4   6     0.04   0.06   0.01    -0.08  -0.04  -0.02     0.05   0.01  -0.00
     5   6    -0.03   0.03   0.01     0.08  -0.05  -0.01     0.01   0.01   0.00
     6   6    -0.02  -0.05  -0.01    -0.03   0.06   0.01    -0.02  -0.04  -0.01
     7   6     0.02  -0.11  -0.10    -0.02  -0.00  -0.10    -0.06   0.19  -0.11
     8   7     0.02   0.06  -0.00     0.03  -0.01   0.01     0.04  -0.12   0.03
     9   6     0.02   0.09   0.06     0.04   0.02   0.07     0.06  -0.06   0.07
    10   1     0.05  -0.31   0.04     0.05  -0.18   0.03     0.05  -0.06   0.05
    11   1    -0.28  -0.21   0.15    -0.14  -0.01  -0.05    -0.14   0.35  -0.34
    12   1    -0.24  -0.15   0.44    -0.18  -0.02   0.18    -0.16   0.10  -0.08
    13   1    -0.02  -0.11  -0.24    -0.14  -0.08   0.06    -0.24  -0.03   0.36
    14   1     0.07  -0.18  -0.22     0.06  -0.01  -0.24     0.04   0.17  -0.24
    15   1     0.21  -0.02   0.05    -0.33   0.04   0.03     0.34  -0.12   0.03
    16   1    -0.11  -0.03  -0.01     0.28   0.08   0.04    -0.01  -0.00   0.00
    17   1     0.01  -0.26  -0.08    -0.08   0.43   0.10     0.01  -0.23  -0.06
    18   1     0.19  -0.02   0.01    -0.16   0.03   0.01     0.23  -0.03   0.00
    19   1    -0.10  -0.01   0.04     0.46   0.26   0.11    -0.16  -0.07   0.03
    20   1    -0.21   0.17  -0.08    -0.08   0.01  -0.03     0.11  -0.17   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1183.7048              1198.9037              1205.9546
 Red. masses --      1.1191                 1.3368                 1.6553
 Frc consts  --      0.9239                 1.1321                 1.4183
 IR Inten    --      0.2006                 2.0854                 1.7705
 RamAct Fr= 1--      3.6939                10.2224                 6.8481
  Dep-P Fr= 1--      0.7491                 0.2048                 0.1324
  Dep-U Fr= 1--      0.8565                 0.3399                 0.2339
 Alpha2 Fr= 1--      0.0001                 0.1371                 0.1107
 Beta2  Fr= 1--      0.5273                 0.5791                 0.2669
 AlphaG Fr= 1--      0.0000                 0.0347                 0.0163
 Gamma2 Fr= 1--      0.1519                 0.5880                -0.0780
 Delta2 Fr= 1--      0.1504                 0.8784                -0.0338
 Raman1 Fr= 1--      14.776                 40.890                 27.393
 ROA1   Fr= 1--      19.395                 84.556                 -8.573
 CID1   Fr= 1--       1.313                  2.068                 -0.313
 Raman2 Fr= 1--       6.328                  6.949                  3.203
 ROA2   Fr= 1--       2.442                  7.085                 -1.603
 CID2   Fr= 1--       0.386                  1.020                 -0.500
 Raman3 Fr= 1--      12.656                 13.899                  6.406
 ROA3   Fr= 1--      19.395                 84.556                 -8.573
 CID3   Fr= 1--       1.532                  6.084                 -1.338
 RC180  Fr= 1--       0.713                 -0.320                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.02  -0.00    -0.01   0.05   0.01    -0.07  -0.02  -0.01
     2   6    -0.00  -0.01  -0.00     0.01   0.02   0.01     0.06   0.03   0.01
     3   6     0.01   0.00   0.00    -0.11  -0.01  -0.02     0.15   0.01   0.03
     4   6     0.01  -0.01  -0.00     0.04  -0.02  -0.00     0.05  -0.01  -0.00
     5   6    -0.04  -0.03  -0.01    -0.01  -0.05  -0.01    -0.07   0.01  -0.00
     6   6    -0.01   0.07   0.02    -0.01   0.00  -0.00     0.01   0.00   0.00
     7   6    -0.00  -0.01  -0.01     0.03   0.01   0.06    -0.04  -0.01  -0.08
     8   7    -0.00   0.00   0.00     0.02   0.01  -0.03    -0.03  -0.02   0.04
     9   6     0.00   0.01   0.00    -0.01  -0.03  -0.02     0.01   0.04   0.03
    10   1    -0.00   0.01  -0.01     0.03  -0.14   0.12    -0.05   0.25  -0.17
    11   1    -0.01  -0.01  -0.01     0.09  -0.04   0.13    -0.08   0.05  -0.17
    12   1    -0.01  -0.01   0.03     0.09   0.04  -0.14    -0.11  -0.05   0.18
    13   1    -0.01  -0.01  -0.01     0.04   0.03   0.03    -0.05  -0.04  -0.05
    14   1     0.01  -0.01  -0.01    -0.02   0.04   0.04     0.02  -0.06  -0.05
    15   1     0.13  -0.06  -0.01     0.54  -0.23  -0.03     0.17  -0.05   0.01
    16   1    -0.38  -0.27  -0.09    -0.26  -0.24  -0.08    -0.41  -0.24  -0.09
    17   1    -0.09   0.66   0.16    -0.01   0.02   0.00     0.01  -0.02  -0.00
    18   1     0.44  -0.19  -0.02    -0.23   0.14   0.02    -0.52   0.16   0.00
    19   1    -0.15  -0.12  -0.03     0.40   0.32   0.07     0.19   0.12   0.06
    20   1     0.01  -0.02   0.00    -0.10   0.21  -0.04     0.17  -0.33   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1258.1689              1333.4907              1355.1139
 Red. masses --      1.4603                 2.8708                 1.7307
 Frc consts  --      1.3620                 3.0076                 1.8725
 IR Inten    --      0.5012                 6.5239                 4.6620
 RamAct Fr= 1--     12.9620                 1.4895                 0.4448
  Dep-P Fr= 1--      0.1611                 0.1999                 0.7496
  Dep-U Fr= 1--      0.2774                 0.3332                 0.8569
 Alpha2 Fr= 1--      0.1948                 0.0202                 0.0000
 Beta2  Fr= 1--      0.5994                 0.0827                 0.0635
 AlphaG Fr= 1--     -0.1350                 0.0360                 0.0001
 Gamma2 Fr= 1--     -1.5388                -0.7090                -0.4686
 Delta2 Fr= 1--      0.1352                -0.1542                -0.0728
 Raman1 Fr= 1--      51.848                  5.958                  1.779
 ROA1   Fr= 1--    -143.399                -72.995                -47.319
 CID1   Fr= 1--      -2.766                -12.252                -26.596
 Raman2 Fr= 1--       7.193                  0.993                  0.762
 ROA2   Fr= 1--     -38.013                -15.782                -10.665
 CID2   Fr= 1--      -5.285                -15.900                -13.990
 Raman3 Fr= 1--      14.385                  1.985                  1.525
 ROA3   Fr= 1--    -143.399                -72.995                -47.319
 CID3   Fr= 1--      -9.969                -36.770                -31.037
 RC180  Fr= 1--      -0.445                 -0.334                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01   0.01     0.12  -0.09  -0.01    -0.06   0.00  -0.00
     2   6    -0.03  -0.04  -0.01    -0.06  -0.07  -0.02     0.13   0.06   0.02
     3   6    -0.11   0.07   0.01     0.04   0.24   0.06     0.01   0.02   0.01
     4   6    -0.00  -0.03  -0.01     0.12  -0.07  -0.01    -0.13   0.03  -0.00
     5   6     0.01  -0.04  -0.01    -0.12  -0.08  -0.03     0.05   0.03   0.01
     6   6    -0.00   0.02   0.00    -0.01   0.11   0.03     0.02  -0.12  -0.03
     7   6     0.05  -0.04  -0.05    -0.13   0.00  -0.03    -0.04   0.01  -0.02
     8   7    -0.04   0.02   0.04     0.06   0.02  -0.00     0.01   0.01   0.01
     9   6    -0.01   0.06   0.03     0.04  -0.03  -0.01     0.01  -0.01  -0.00
    10   1    -0.06   0.29  -0.17     0.08  -0.31   0.08     0.02  -0.08  -0.01
    11   1     0.69  -0.08  -0.16    -0.05  -0.29   0.39     0.12  -0.15   0.17
    12   1    -0.03  -0.07   0.22    -0.08   0.06  -0.11    -0.06   0.01  -0.02
    13   1     0.02  -0.02  -0.13    -0.10  -0.06   0.08    -0.03  -0.01   0.04
    14   1     0.02  -0.11  -0.01     0.01   0.07  -0.04    -0.00   0.05   0.02
    15   1     0.24  -0.14  -0.01     0.12  -0.07  -0.01     0.49  -0.23  -0.02
    16   1     0.19   0.08   0.03     0.21   0.16   0.06     0.17   0.11   0.04
    17   1     0.01  -0.06  -0.01     0.01  -0.07  -0.02    -0.05   0.32   0.08
    18   1     0.03   0.02   0.01    -0.39   0.12   0.00    -0.25   0.08   0.00
    19   1    -0.03  -0.04  -0.01    -0.23  -0.19  -0.06    -0.44  -0.36  -0.10
    20   1     0.15  -0.31   0.05    -0.19   0.18  -0.07    -0.05   0.03  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1369.3149              1402.6143              1406.7730
 Red. masses --      1.3650                 1.5103                 1.2486
 Frc consts  --      1.5080                 1.7506                 1.4558
 IR Inten    --     10.7845                10.7972                10.8510
 RamAct Fr= 1--      8.4136                 3.5387                 0.7751
  Dep-P Fr= 1--      0.4351                 0.2084                 0.6975
  Dep-U Fr= 1--      0.6063                 0.3450                 0.8218
 Alpha2 Fr= 1--      0.0547                 0.0470                 0.0007
 Beta2  Fr= 1--      0.8502                 0.2035                 0.1062
 AlphaG Fr= 1--      0.0088                 0.0635                -0.0012
 Gamma2 Fr= 1--      1.8101                 0.1995                 0.1182
 Delta2 Fr= 1--     -0.1284                -0.7312                 0.1754
 Raman1 Fr= 1--      33.655                 14.155                  3.101
 ROA1   Fr= 1--     169.664                 -4.250                 16.957
 CID1   Fr= 1--       5.041                 -0.300                  5.469
 Raman2 Fr= 1--      10.203                  2.442                  1.274
 ROA2   Fr= 1--      44.470                 10.637                  1.432
 CID2   Fr= 1--       4.359                  4.357                  1.124
 Raman3 Fr= 1--      20.406                  4.883                  2.548
 ROA3   Fr= 1--     169.664                 -4.250                 16.957
 CID3   Fr= 1--       8.315                 -0.870                  6.655
 RC180  Fr= 1--       0.213                 -0.310                  0.644
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.00    -0.06   0.01  -0.00     0.02  -0.00   0.00
     2   6    -0.01  -0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.00  -0.00
     3   6    -0.00  -0.04   0.01     0.04  -0.03  -0.02    -0.02   0.01   0.00
     4   6     0.00   0.00  -0.00     0.01  -0.02  -0.00    -0.00   0.01   0.00
     5   6     0.02   0.02   0.00     0.04   0.04   0.01    -0.01  -0.02  -0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6     0.03   0.09  -0.12    -0.16   0.00   0.03     0.05  -0.01   0.01
     8   7    -0.01   0.01   0.04     0.04   0.02  -0.01    -0.01  -0.01  -0.00
     9   6    -0.02  -0.05  -0.01     0.07   0.02  -0.04     0.04   0.02  -0.13
    10   1    -0.02   0.11  -0.12     0.06  -0.22   0.07    -0.01   0.04   0.02
    11   1     0.07  -0.48   0.72     0.69  -0.09  -0.08    -0.23   0.07  -0.02
    12   1     0.00  -0.00  -0.07    -0.28  -0.03   0.12    -0.18  -0.31   0.42
    13   1     0.01   0.05   0.15    -0.24  -0.07   0.10    -0.27   0.17   0.46
    14   1    -0.06   0.11   0.14     0.04   0.02   0.16    -0.01  -0.06   0.52
    15   1    -0.12   0.05   0.02    -0.17   0.05  -0.01     0.07  -0.02  -0.01
    16   1    -0.09  -0.06  -0.02    -0.20  -0.14  -0.05     0.08   0.05   0.02
    17   1     0.01  -0.08  -0.02     0.02  -0.16  -0.04    -0.01   0.05   0.01
    18   1     0.14  -0.05  -0.00     0.17  -0.08  -0.01    -0.05   0.03   0.01
    19   1     0.10   0.07   0.03     0.09   0.05   0.00     0.00   0.01  -0.00
    20   1     0.07  -0.22   0.03    -0.14   0.14  -0.05     0.06  -0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1489.4670              1491.9474              1497.0342
 Red. masses --      1.5024                 1.0977                 1.2822
 Frc consts  --      1.9638                 1.4396                 1.6931
 IR Inten    --      4.4660                12.4367                 0.8249
 RamAct Fr= 1--      2.4832                 4.1535                 3.1103
  Dep-P Fr= 1--      0.6657                 0.6595                 0.6175
  Dep-U Fr= 1--      0.7993                 0.7948                 0.7636
 Alpha2 Fr= 1--      0.0037                 0.0067                 0.0075
 Beta2  Fr= 1--      0.3308                 0.5502                 0.3958
 AlphaG Fr= 1--      0.0028                 0.0215                -0.0261
 Gamma2 Fr= 1--      4.7815                -1.4891                -2.0512
 Delta2 Fr= 1--     -1.3367                 0.8701                -0.3086
 Raman1 Fr= 1--       9.933                 16.614                 12.441
 ROA1   Fr= 1--     416.249               -115.112               -206.793
 CID1   Fr= 1--      41.907                 -6.929                -16.621
 Raman2 Fr= 1--       3.969                  6.603                  4.750
 ROA2   Fr= 1--     125.450                -42.700                -46.761
 CID2   Fr= 1--      31.604                 -6.467                 -9.845
 Raman3 Fr= 1--       7.939                 13.206                  9.500
 ROA3   Fr= 1--     416.249               -115.112               -206.793
 CID3   Fr= 1--      52.432                 -8.717                -21.768
 RC180  Fr= 1--       0.599                  0.590                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.03   0.01     0.03   0.00   0.00     0.05   0.01   0.01
     2   6    -0.07   0.02   0.00    -0.02   0.01   0.00    -0.03   0.03   0.00
     3   6     0.02  -0.10  -0.02     0.00  -0.03  -0.01     0.01  -0.07  -0.02
     4   6     0.04   0.05   0.01     0.02   0.01   0.00     0.05   0.02   0.01
     5   6    -0.09  -0.01  -0.01    -0.03   0.00  -0.00    -0.05   0.01  -0.00
     6   6     0.02  -0.08  -0.02     0.00  -0.03  -0.01     0.00  -0.06  -0.02
     7   6     0.01   0.02   0.01    -0.02  -0.01   0.00    -0.06   0.03  -0.00
     8   7    -0.01   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
     9   6     0.04   0.00   0.01    -0.01  -0.05  -0.01    -0.03   0.02  -0.01
    10   1    -0.01   0.03   0.02     0.00   0.00  -0.03     0.01  -0.06   0.02
    11   1     0.11  -0.01   0.02     0.11   0.00  -0.07     0.23  -0.05   0.03
    12   1    -0.36   0.26  -0.24    -0.25  -0.16   0.24     0.57  -0.20   0.13
    13   1    -0.24  -0.31  -0.29     0.53   0.28   0.04    -0.04   0.19   0.33
    14   1     0.00  -0.01   0.32    -0.10   0.63  -0.14     0.07  -0.36  -0.34
    15   1    -0.05   0.09   0.02    -0.05   0.04   0.01    -0.11   0.09   0.01
    16   1     0.20   0.21   0.07     0.04   0.06   0.02     0.06   0.10   0.03
    17   1    -0.04   0.39   0.09    -0.02   0.13   0.03    -0.04   0.25   0.06
    18   1    -0.16   0.14   0.02    -0.08   0.05   0.01    -0.16   0.10   0.01
    19   1     0.09   0.15   0.04     0.02   0.04   0.01     0.01   0.06   0.02
    20   1     0.05  -0.04   0.02    -0.05   0.02  -0.01    -0.02   0.02  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7745              1629.4700              1647.3311
 Red. masses --      2.2230                 5.2150                 2.7491
 Frc consts  --      3.0772                 8.1582                 4.3954
 IR Inten    --      9.7686                 0.4861                 8.8226
 RamAct Fr= 1--      0.2848                 9.1325                30.1859
  Dep-P Fr= 1--      0.5205                 0.7449                 0.6459
  Dep-U Fr= 1--      0.6846                 0.8538                 0.7849
 Alpha2 Fr= 1--      0.0013                 0.0008                 0.0566
 Beta2  Fr= 1--      0.0325                 1.2995                 3.9487
 AlphaG Fr= 1--      0.0029                 0.0080                -0.0041
 Gamma2 Fr= 1--     -0.2182                -1.7055                 2.3209
 Delta2 Fr= 1--     -0.0841                -0.1394                -0.1444
 Raman1 Fr= 1--       1.139                 36.530                120.744
 ROA1   Fr= 1--     -23.635               -168.189                218.185
 CID1   Fr= 1--     -20.750                 -4.604                  1.807
 Raman2 Fr= 1--       0.390                 15.594                 47.385
 ROA2   Fr= 1--      -4.563                -39.816                 56.857
 CID2   Fr= 1--     -11.703                 -2.553                  1.200
 Raman3 Fr= 1--       0.780                 31.189                 94.769
 ROA3   Fr= 1--     -23.635               -168.189                218.185
 CID3   Fr= 1--     -30.308                 -5.393                  2.302
 RC180  Fr= 1--       0.369                  0.708                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.09   0.01     0.07  -0.18  -0.04    -0.18   0.04  -0.00
     2   6    -0.05  -0.10  -0.03     0.09   0.19   0.05     0.16   0.05   0.02
     3   6     0.14   0.02   0.01     0.03  -0.29  -0.07    -0.13   0.02  -0.00
     4   6    -0.08   0.08   0.02    -0.10   0.16   0.04     0.19  -0.05   0.00
     5   6    -0.10  -0.11  -0.03    -0.06  -0.21  -0.06    -0.15  -0.04  -0.02
     6   6     0.11   0.01   0.01    -0.03   0.33   0.08     0.09  -0.02   0.00
     7   6    -0.04  -0.00  -0.00    -0.02   0.03   0.00     0.01  -0.01  -0.01
     8   7     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.03   0.03  -0.04
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   1     0.01  -0.02  -0.03    -0.01  -0.06   0.16    -0.01  -0.21   0.51
    11   1    -0.03  -0.01   0.01     0.24  -0.03   0.00     0.01  -0.03  -0.00
    12   1     0.09  -0.04   0.03     0.01   0.00  -0.00    -0.02  -0.00   0.01
    13   1     0.04   0.05   0.06     0.01   0.01   0.01     0.03   0.01  -0.02
    14   1     0.00  -0.01  -0.10     0.00   0.00  -0.02    -0.01   0.03   0.00
    15   1     0.42  -0.11  -0.00     0.27   0.02   0.02    -0.23   0.13   0.02
    16   1     0.40   0.24   0.09     0.27   0.01   0.02     0.10   0.15   0.05
    17   1     0.13   0.02   0.01     0.08  -0.45  -0.11     0.09   0.04   0.02
    18   1     0.47  -0.15  -0.00    -0.19  -0.09  -0.03     0.19  -0.12  -0.02
    19   1     0.38   0.20   0.06    -0.28  -0.07  -0.03    -0.13  -0.18  -0.05
    20   1    -0.05   0.03  -0.02     0.17  -0.05   0.06     0.53  -0.12   0.16
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1655.8729              2942.9079              3028.5797
 Red. masses --      1.3941                 1.0824                 1.0373
 Frc consts  --      2.2521                 5.5233                 5.6058
 IR Inten    --     38.3326                54.7058                34.4198
 RamAct Fr= 1--     12.4568                90.0172               219.8216
  Dep-P Fr= 1--      0.5928                 0.2290                 0.0639
  Dep-U Fr= 1--      0.7444                 0.3726                 0.1202
 Alpha2 Fr= 1--      0.0364                 1.1307                 4.2001
 Beta2  Fr= 1--      1.5454                 5.5906                 4.4026
 AlphaG Fr= 1--      0.0545                 0.9595                 0.1144
 Gamma2 Fr= 1--     -0.9438                 2.0731                 1.2781
 Delta2 Fr= 1--     -0.2011                 1.0068                -0.8099
 Raman1 Fr= 1--      49.827                360.069                879.287
 ROA1   Fr= 1--     -97.040                231.231                 96.778
 CID1   Fr= 1--      -1.948                  0.642                  0.110
 Raman2 Fr= 1--      18.545                 67.087                 52.832
 ROA2   Fr= 1--     -21.043                 41.699                 37.153
 CID2   Fr= 1--      -1.135                  0.622                  0.703
 Raman3 Fr= 1--      37.091                134.174                105.663
 ROA3   Fr= 1--     -97.040                231.231                 96.778
 CID3   Fr= 1--      -2.616                  1.723                  0.916
 RC180  Fr= 1--       0.489                 -0.255                 -0.760
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.07  -0.04  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6     0.06   0.02   0.01     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.08   0.01  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.07   0.03   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.03  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02  -0.02  -0.02    -0.02  -0.07  -0.05    -0.00  -0.00  -0.00
     8   7    -0.04   0.04  -0.05     0.00  -0.00   0.00     0.00   0.00  -0.00
     9   6    -0.00  -0.00   0.01     0.00   0.01   0.00    -0.04  -0.01   0.03
    10   1    -0.01  -0.27   0.63    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    11   1     0.02  -0.06   0.02     0.16   0.82   0.54     0.00   0.01   0.01
    12   1     0.00  -0.01   0.01    -0.01  -0.04  -0.03    -0.09  -0.39  -0.27
    13   1     0.05   0.02  -0.01     0.02  -0.02   0.01    -0.20   0.35  -0.19
    14   1    -0.01   0.03  -0.04    -0.04  -0.00  -0.00     0.74   0.12   0.06
    15   1     0.08  -0.06  -0.01    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1    -0.06  -0.06  -0.02    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    17   1    -0.04   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   1    -0.05   0.05   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    19   1     0.08   0.08   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.63  -0.13   0.19     0.01   0.00  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3092.5548              3113.9039              3156.2114
 Red. masses --      1.0981                 1.1026                 1.0866
 Frc consts  --      6.1877                 6.2992                 6.3775
 IR Inten    --     33.5439                17.8559                 8.1994
 RamAct Fr= 1--     81.8724                35.3239                45.6041
  Dep-P Fr= 1--      0.7466                 0.7266                 0.4933
  Dep-U Fr= 1--      0.8549                 0.8417                 0.6606
 Alpha2 Fr= 1--      0.0047                 0.0142                 0.2323
 Beta2  Fr= 1--     11.6656                 4.9553                 5.0214
 AlphaG Fr= 1--     -0.0040                -0.0464                -0.1100
 Gamma2 Fr= 1--     -0.7915                 0.3026                -0.5952
 Delta2 Fr= 1--      0.7768                 0.1592                 0.3697
 Raman1 Fr= 1--     327.490                141.296                182.416
 ROA1   Fr= 1--     -51.124                 34.147                -45.303
 CID1   Fr= 1--      -0.156                  0.242                 -0.248
 Raman2 Fr= 1--     139.987                 59.463                 60.257
 ROA2   Fr= 1--     -25.210                  5.989                -17.241
 CID2   Fr= 1--      -0.180                  0.101                 -0.286
 Raman3 Fr= 1--     279.975                118.927                120.513
 ROA3   Fr= 1--     -51.124                 34.147                -45.303
 CID3   Fr= 1--      -0.183                  0.287                 -0.376
 RC180  Fr= 1--       0.710                  0.683                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
     2   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03  -0.07  -0.02
     5   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.03   0.01
     6   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.02   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
     8   7     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9   6    -0.08  -0.01  -0.05     0.02  -0.09  -0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   1     0.01   0.03   0.02     0.01   0.05   0.03     0.01   0.01   0.01
    12   1     0.07   0.46   0.32     0.11   0.53   0.38     0.00   0.01   0.01
    13   1     0.20  -0.41   0.22    -0.32   0.58  -0.33    -0.00   0.01  -0.00
    14   1     0.63   0.10   0.04    -0.00  -0.02  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.33   0.78   0.22
    16   1    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.25  -0.33  -0.07
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.18  -0.02  -0.02
    18   1     0.00   0.00   0.00     0.00   0.00   0.00     0.05   0.11   0.03
    19   1     0.00  -0.00  -0.00     0.01  -0.01  -0.00     0.02  -0.03  -0.01
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3167.2764              3177.6927              3190.1981
 Red. masses --      1.0865                 1.0909                 1.0944
 Frc consts  --      6.4217                 6.4903                 6.5626
 IR Inten    --      0.4947                22.3618                19.7780
 RamAct Fr= 1--     99.8120                82.4140               126.0031
  Dep-P Fr= 1--      0.6151                 0.7092                 0.1410
  Dep-U Fr= 1--      0.7617                 0.8299                 0.2472
 Alpha2 Fr= 1--      0.2470                 0.0583                 1.9927
 Beta2  Fr= 1--     12.6707                11.3988                 5.1905
 AlphaG Fr= 1--     -0.0467                -0.0228                -0.1808
 Gamma2 Fr= 1--      0.6953                -0.7216                 1.5568
 Delta2 Fr= 1--      0.1698                -0.4396                -2.2721
 Raman1 Fr= 1--     399.248                329.656                504.012
 ROA1   Fr= 1--      72.185                -83.342                 76.745
 CID1   Fr= 1--       0.181                 -0.253                  0.152
 Raman2 Fr= 1--     152.049                136.786                 62.286
 ROA2   Fr= 1--      15.330                -13.802                 55.540
 CID2   Fr= 1--       0.101                 -0.101                  0.892
 Raman3 Fr= 1--     304.097                273.571                124.572
 ROA3   Fr= 1--      72.185                -83.342                 76.745
 CID3   Fr= 1--       0.237                 -0.305                  0.616
 RC180  Fr= 1--       0.523                  0.660                 -0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.01    -0.02  -0.04  -0.01    -0.00  -0.01  -0.00
     2   6    -0.01   0.01   0.00    -0.01   0.02   0.00    -0.02   0.03   0.01
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03   0.01    -0.01  -0.02  -0.01     0.01   0.01   0.00
     5   6    -0.01   0.01   0.00     0.04  -0.04  -0.01    -0.03   0.04   0.01
     6   6     0.05   0.01   0.00    -0.03  -0.00  -0.00    -0.06  -0.01  -0.01
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    11   1    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1    -0.12  -0.29  -0.08     0.11   0.26   0.08    -0.07  -0.15  -0.04
    16   1     0.12  -0.16  -0.03    -0.40   0.51   0.10     0.33  -0.43  -0.09
    17   1    -0.56  -0.07  -0.05     0.34   0.04   0.03     0.65   0.08   0.06
    18   1     0.26   0.62   0.17     0.20   0.48   0.13     0.06   0.15   0.04
    19   1     0.13  -0.16  -0.03     0.14  -0.19  -0.03     0.27  -0.35  -0.06
    20   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3197.6487              3485.0365              3565.4792
 Red. masses --      1.0945                 1.0486                 1.0939
 Frc consts  --      6.5934                 7.5033                 8.1933
 IR Inten    --      7.3014                 0.3154                 0.3838
 RamAct Fr= 1--    203.2580               183.9225                86.3866
  Dep-P Fr= 1--      0.1060                 0.1060                 0.7034
  Dep-U Fr= 1--      0.1916                 0.1917                 0.8259
 Alpha2 Fr= 1--      3.5071                 3.1732                 0.0700
 Beta2  Fr= 1--      6.4913                 5.8753                11.8909
 AlphaG Fr= 1--      0.0275                -1.2195                 0.1556
 Gamma2 Fr= 1--     -1.7148                -2.4134                -5.1061
 Delta2 Fr= 1--      1.9606                 0.4854                -1.8654
 Raman1 Fr= 1--     813.032                735.690                345.546
 ROA1   Fr= 1--    -101.879               -216.154               -549.877
 CID1   Fr= 1--      -0.125                 -0.294                 -1.591
 Raman2 Fr= 1--      77.896                 70.504                142.690
 ROA2   Fr= 1--     -56.839                -61.805               -107.623
 CID2   Fr= 1--      -0.730                 -0.877                 -0.754
 Raman3 Fr= 1--     155.792                141.007                285.381
 ROA3   Fr= 1--    -101.879               -216.154               -549.877
 CID3   Fr= 1--      -0.654                 -1.533                 -1.927
 RC180  Fr= 1--      -0.617                 -0.617                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.05  -0.06  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01   0.01   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6    -0.03  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00    -0.03   0.01  -0.05    -0.07  -0.01   0.04
     9   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   1     0.00   0.00  -0.00     0.68   0.07   0.00     0.72   0.09   0.04
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00  -0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.02  -0.04  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.11  -0.14  -0.03    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    17   1     0.29   0.03   0.03     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1     0.16   0.38   0.10    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.51   0.65   0.12    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   1    -0.00  -0.00  -0.00    -0.27  -0.12   0.66     0.23   0.10  -0.64

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   523.996361619.923491832.00536
           X            0.99997   0.00657  -0.00461
           Y           -0.00655   0.99997   0.00434
           Z            0.00464  -0.00431   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16529     0.05347     0.04728
 Rotational constants (GHZ):           3.44419     1.11409     0.98512
 Zero-point vibrational energy     456063.0 (Joules/Mol)
                                  109.00167 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     63.11   183.67   309.66   369.29   407.86
          (Kelvin)            444.74   530.20   599.60   696.20   790.42
                              863.76   918.41  1031.15  1106.38  1121.81
                             1212.85  1243.55  1326.50  1343.83  1393.73
                             1424.63  1446.37  1475.72  1516.14  1535.27
                             1592.51  1630.24  1703.09  1724.95  1735.10
                             1810.22  1918.60  1949.71  1970.14  2018.05
                             2024.03  2143.01  2146.58  2153.90  2205.32
                             2344.44  2370.14  2382.43  4234.19  4357.45
                             4449.50  4480.21  4541.08  4557.00  4571.99
                             4589.98  4600.70  5014.19  5129.93
 
 Zero-point correction=                           0.173705 (Hartree/Particle)
 Thermal correction to Energy=                    0.182186
 Thermal correction to Enthalpy=                  0.183130
 Thermal correction to Gibbs Free Energy=         0.140315
 Sum of electronic and zero-point Energies=           -366.228140
 Sum of electronic and thermal Energies=              -366.219660
 Sum of electronic and thermal Enthalpies=            -366.218715
 Sum of electronic and thermal Free Energies=         -366.261530
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.323             32.909             90.110
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.832
 Vibrational            112.546             26.948             20.990
 Vibration     1          0.595              1.980              5.076
 Vibration     2          0.611              1.926              2.981
 Vibration     3          0.645              1.818              1.999
 Vibration     4          0.666              1.752              1.684
 Vibration     5          0.682              1.704              1.513
 Vibration     6          0.698              1.656              1.367
 Vibration     7          0.741              1.537              1.086
 Vibration     8          0.780              1.434              0.903
 Vibration     9          0.840              1.286              0.700
 Vibration    10          0.905              1.141              0.545
 Vibration    11          0.958              1.031              0.449
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.288034D-64        -64.540556       -148.610122
 Total V=0       0.228153D+16         15.358226         35.363623
 Vib (Bot)       0.123200D-77        -77.909388       -179.392995
 Vib (Bot)    1  0.471538D+01          0.673517          1.550829
 Vib (Bot)    2  0.159791D+01          0.203552          0.468696
 Vib (Bot)    3  0.920866D+00         -0.035803         -0.082441
 Vib (Bot)    4  0.757967D+00         -0.120350         -0.277115
 Vib (Bot)    5  0.676970D+00         -0.169430         -0.390128
 Vib (Bot)    6  0.612048D+00         -0.213215         -0.490945
 Vib (Bot)    7  0.494552D+00         -0.305788         -0.704103
 Vib (Bot)    8  0.422387D+00         -0.374289         -0.861833
 Vib (Bot)    9  0.344483D+00         -0.462832         -1.065710
 Vib (Bot)   10  0.285832D+00         -0.543890         -1.252353
 Vib (Bot)   11  0.248634D+00         -0.604439         -1.391773
 Vib (V=0)       0.975875D+02          1.989394          4.580749
 Vib (V=0)    1  0.524181D+01          0.719482          1.656668
 Vib (V=0)    2  0.217431D+01          0.337322          0.776712
 Vib (V=0)    3  0.154785D+01          0.189730          0.436868
 Vib (V=0)    4  0.140803D+01          0.148611          0.342190
 Vib (V=0)    5  0.134160D+01          0.127623          0.293862
 Vib (V=0)    6  0.129032D+01          0.110697          0.254889
 Vib (V=0)    7  0.120326D+01          0.080361          0.185039
 Vib (V=0)    8  0.115453D+01          0.062406          0.143694
 Vib (V=0)    9  0.110718D+01          0.044219          0.101817
 Vib (V=0)   10  0.107593D+01          0.031786          0.073189
 Vib (V=0)   11  0.105841D+01          0.024653          0.056765
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.446396D+06          5.649720         13.008962
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       3333333  3  2                                           111 1111 11111 1111111111                                    
     5  4       1111110  0  9                                           666 5444 44333 2211110000999988 77 7  66 5 4  43 322 2  1    
     6  8       9976519  2  4                                           542 3998 00653 5098306520963264 86 1  30 4 8  16 085 1  2  4 
     5  5       8087643  9  3                                           679 3729 73953 8694377465094243 09 7  80 9 4  79 937 5  8  4 
 
     X  X       XXXXXXX  X  X                                           XXX XXXX XXXXX XXXXXXXX XX XXXX XX X  XX X X  XX XXX X  X  X 
                XXX XXX  X  X                                           XX  X X  XXX       X X        X XX X   X X     X  XX         
                 XX  XX  X  X                                           X     X            X          X X  X   X X        XX         
                 XX  XX  X  X                                           X                             X X  X              X          
                  X   X  X  X                                           X                             X X  X              X          
                      X  X  X                                           X                             X X  X                         
                      X  X  X                                           X                             X    X                         
                            X                                           X                             X    X                         
                            X                                                                         X    X                         
                            X                                                                         X                              
                            X                                                                         X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
                                                                                                      X                              
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007657   -0.000003940    0.000001122
      2        6          -0.000005405   -0.000005277   -0.000002029
      3        6          -0.000000871    0.000012383   -0.000002427
      4        6           0.000008339   -0.000003972    0.000000687
      5        6          -0.000005820   -0.000003822   -0.000000495
      6        6          -0.000000253    0.000007211    0.000000302
      7        6          -0.000002957   -0.000007290    0.000007643
      8        7          -0.000001588    0.000000105   -0.000000073
      9        6           0.000003986    0.000008426   -0.000012746
     10        1           0.000000282   -0.000001552   -0.000000180
     11        1          -0.000001722    0.000000341   -0.000002301
     12        1          -0.000002370   -0.000001661    0.000003548
     13        1          -0.000000349   -0.000000518   -0.000000156
     14        1          -0.000001946    0.000000020    0.000002611
     15        1          -0.000000646    0.000000631    0.000000044
     16        1           0.000000004    0.000000175    0.000000843
     17        1          -0.000000034   -0.000000195    0.000000685
     18        1          -0.000000475    0.000000588   -0.000000512
     19        1           0.000001453    0.000000154    0.000000918
     20        1           0.000002716   -0.000001807    0.000002516
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012746 RMS     0.000003918
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135289D+03  0.137977D+00  0.121765D+01
      2   0.137977D+00  0.109073D+03  0.580361D+01
      3   0.121765D+01  0.580361D+01  0.797152D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.173076D+01  0.170972D+01  0.472520D+00
      2   0.405597D+01  0.138854D+02 -0.110497D+02
      3  -0.394550D+01 -0.325652D+02 -0.128015D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.688886D+02  0.501883D+01  0.293940D+01
      2  -0.198270D+02 -0.609401D+01 -0.730560D+01
      3  -0.490616D+02  0.107518D+01  0.436619D+01
      4  -0.540684D+01  0.632639D+02  0.341115D+02
      5   0.191763D+02  0.352788D+02 -0.312074D+02
      6   0.141354D+02  0.476399D+01 -0.385714D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424823D+01 -0.683132D+00 -0.179921D+00  0.543478D+01  0.491827D+00
      2  -0.683132D+00  0.278388D+01 -0.210932D+00  0.491827D+00  0.164520D+01
      3  -0.179921D+00 -0.210932D+00  0.938063D+00 -0.423148D+00 -0.117929D+01
                 6             7             8             9            10 
      1  -0.423148D+00  0.897084D+00 -0.769547D+00  0.200847D+01  0.398205D+01
      2  -0.117929D+01 -0.769547D+00 -0.135573D+01  0.366208D+01 -0.571230D+00
      3   0.217160D+01  0.200847D+01  0.366208D+01  0.289548D+01  0.203609D+00
                11            12            13            14            15 
      1  -0.571230D+00  0.203609D+00  0.844507D+01 -0.102119D+00  0.208454D+00
      2  -0.390290D+01 -0.677556D+00 -0.102119D+00  0.181079D+01 -0.886006D+00
      3  -0.677556D+00 -0.211433D+01  0.208454D+00 -0.886006D+00  0.155848D+01
                16            17            18            19            20 
      1   0.293581D+01 -0.905199D-01 -0.180884D+01 -0.174646D+02 -0.222388D+01
      2  -0.905199D-01 -0.154099D+01  0.300570D+01 -0.222388D+01 -0.250191D+01
      3  -0.180884D+01  0.300570D+01  0.149124D+01  0.422251D+00  0.176976D+00
                21            22            23            24            25 
      1   0.422251D+00 -0.279075D+01  0.130074D+01  0.160718D+01 -0.796072D+00
      2   0.176976D+00  0.130074D+01 -0.409193D+00 -0.282661D+00  0.146257D+01
      3  -0.232222D+01  0.160718D+01 -0.282661D+00  0.103209D+00 -0.401803D+01
                26            27            28            29            30 
      1   0.146257D+01 -0.401803D+01  0.524301D+01  0.262966D+01  0.729362D+00
      2  -0.632795D+00 -0.544477D+00  0.262966D+01 -0.279930D+01 -0.203297D+00
      3  -0.544477D+00 -0.770942D+00  0.729362D+00 -0.203297D+00 -0.135806D+01
                31            32            33            34            35 
      1  -0.712692D+01 -0.652550D+00  0.262442D+00 -0.105127D+01  0.988397D+00
      2  -0.652550D+00 -0.217207D+01  0.115933D+01  0.988397D+00  0.118537D+01
      3   0.262442D+00  0.115933D+01 -0.176469D+01 -0.865865D+00 -0.334377D+01
                36            37            38            39            40 
      1  -0.865865D+00 -0.269557D+01 -0.877662D+00 -0.408816D+00 -0.617792D+01
      2  -0.334377D+01 -0.877662D+00  0.320260D+01  0.929300D+00 -0.615286D+00
      3  -0.302901D+01 -0.408816D+00  0.929300D+00  0.211722D+01 -0.100678D+01
                41            42            43            44            45 
      1  -0.615286D+00 -0.100678D+01 -0.185287D+01 -0.738725D+00  0.303955D+01
      2  -0.117274D+01  0.148819D+01 -0.738725D+00  0.191750D+01 -0.307361D+01
      3   0.148819D+01 -0.195048D+01  0.303955D+01 -0.307361D+01 -0.184942D+01
                46            47            48            49            50 
      1   0.656507D+01  0.509397D+00 -0.426270D+00  0.114163D+01 -0.673612D+00
      2   0.509397D+00  0.350521D+01  0.496014D-01 -0.673612D+00  0.165023D+00
      3  -0.426270D+00  0.496014D-01  0.322967D+01 -0.152527D+01 -0.693182D+00
                51            52            53            54            55 
      1  -0.152527D+01 -0.477700D-01 -0.153670D+01  0.534360D+01  0.384271D+01
      2  -0.693182D+00 -0.153670D+01  0.234750D-01  0.385471D+00  0.415846D+00
      3   0.435249D-01  0.534360D+01  0.385471D+00  0.103440D+01 -0.119123D+01
                56            57            58            59            60 
      1   0.415846D+00 -0.119123D+01  0.990391D-01  0.226250D+01 -0.264977D+01
      2   0.118967D+01 -0.120414D+01  0.226250D+01  0.515787D+01  0.372699D+01
      3  -0.120414D+01  0.268503D+01 -0.264977D+01  0.372699D+01  0.722243D+00
                61            62            63            64            65 
      1  -0.552454D+01 -0.212417D+01  0.496738D+01  0.728733D+01  0.135049D+01
      2  -0.212417D+01  0.356593D+01  0.274368D+01  0.135049D+01 -0.983703D+00
      3   0.496738D+01  0.274368D+01 -0.233150D+01  0.134083D+01  0.591227D+00
                66            67            68            69            70 
      1   0.134083D+01  0.359618D+01 -0.186258D+01  0.150203D+01  0.150464D+01
      2   0.591227D+00 -0.186258D+01  0.864799D+00 -0.186935D+01  0.477413D+00
      3  -0.196429D+01  0.150203D+01 -0.186935D+01 -0.546862D+00 -0.183429D+01
                71            72            73            74            75 
      1   0.477413D+00 -0.183429D+01  0.899042D+01  0.203836D+01  0.144776D-01
      2  -0.454622D+00 -0.131408D+01  0.203836D+01 -0.212295D+01  0.113732D+01
      3  -0.131408D+01  0.508450D+01  0.144776D-01  0.113732D+01 -0.302208D+01
                76            77            78            79            80 
      1   0.159303D+01 -0.184381D+01  0.164398D+01  0.575944D+01  0.193313D+01
      2  -0.184381D+01  0.230620D+00 -0.425611D+01  0.193313D+01 -0.274113D+01
      3   0.164398D+01 -0.425611D+01 -0.130321D+01 -0.446293D+01 -0.181953D+01
                81            82            83            84            85 
      1  -0.446293D+01 -0.127388D+02  0.852868D+00 -0.248819D+01 -0.748019D-01
      2  -0.181953D+01  0.852868D+00 -0.807306D+00  0.461064D+00 -0.499186D+00
      3   0.197238D+01 -0.248819D+01  0.461064D+00 -0.174174D+01  0.204889D+00
                86            87            88            89            90 
      1  -0.499186D+00  0.204889D+00 -0.277199D+00  0.225341D+00 -0.850048D+00
      2   0.600025D+00  0.107265D+00  0.225341D+00  0.433494D+00  0.210637D+00
      3   0.107265D+00  0.352653D-01 -0.850048D+00  0.210637D+00 -0.482699D+00
                91            92            93            94            95 
      1   0.526527D-01 -0.124371D+01 -0.473126D+00 -0.261881D+01 -0.144615D+01
      2  -0.124371D+01 -0.122297D+01 -0.266523D+00 -0.144615D+01 -0.669064D+01
      3  -0.473126D+00 -0.266523D+00 -0.867270D+00 -0.375349D+00 -0.205966D+01
                96            97            98            99           100 
      1  -0.375349D+00 -0.584247D+00 -0.299290D+00 -0.115778D+01 -0.400467D+00
      2  -0.205966D+01 -0.299290D+00 -0.301167D+01 -0.205373D+01  0.458821D+00
      3  -0.197828D+01 -0.115778D+01 -0.205373D+01 -0.174826D+01  0.350812D+00
               101           102           103           104           105 
      1   0.458821D+00  0.350812D+00  0.169406D+01 -0.343843D-01 -0.772620D+00
      2   0.380147D+00  0.426368D-01 -0.343843D-01  0.317392D+01  0.224758D+01
      3   0.426368D-01  0.826660D+00 -0.772620D+00  0.224758D+01  0.343578D+01
               106           107           108           109           110 
      1   0.723315D+00 -0.211051D+00 -0.636422D-01  0.252828D+00 -0.995930D+00
      2  -0.211051D+00  0.191394D+01  0.160120D+01 -0.995930D+00  0.147073D+01
      3  -0.636422D-01  0.160120D+01  0.346957D+01  0.524595D+00 -0.975326D+00
               111           112           113           114           115 
      1   0.524595D+00 -0.159680D+01  0.507567D+00 -0.190471D+00  0.327292D+00
      2  -0.975326D+00  0.507567D+00 -0.444480D+01  0.274608D+01 -0.387482D+00
      3   0.160983D+01 -0.190471D+00  0.274608D+01 -0.255631D+01  0.466126D+00
               116           117           118           119           120 
      1  -0.387482D+00  0.466126D+00 -0.136830D+02 -0.213930D+01  0.186740D+01
      2   0.196316D+01 -0.167236D+01 -0.213930D+01 -0.126306D+01  0.377018D+00
      3  -0.167236D+01  0.250561D+01  0.186740D+01  0.377018D+00 -0.158777D+01
               121           122           123           124           125 
      1  -0.208546D+01 -0.148551D+01  0.190768D+00 -0.105171D+01 -0.240797D+00
      2  -0.148551D+01 -0.828174D+00  0.602233D+00 -0.240797D+00  0.384596D-01
      3   0.190768D+00  0.602233D+00 -0.240165D+00 -0.714062D+00 -0.323662D-01
               126           127           128           129           130 
      1  -0.714062D+00 -0.158327D+01 -0.168169D+01 -0.534138D+00 -0.151211D+01
      2  -0.323662D-01 -0.168169D+01 -0.207023D+01 -0.639735D+00 -0.197265D+01
      3  -0.959687D-01 -0.534138D+00 -0.639735D+00 -0.357665D+00 -0.541125D+00
               131           132           133           134           135 
      1  -0.197265D+01 -0.541125D+00 -0.635712D+00 -0.700363D+00 -0.118968D+00
      2  -0.778073D+01 -0.207109D+01 -0.700363D+00 -0.218499D+01 -0.588897D+00
      3  -0.207109D+01 -0.130632D+01 -0.118968D+00 -0.588897D+00 -0.355814D+00
               136           137           138           139           140 
      1   0.476165D+01 -0.375629D+01 -0.719483D+00 -0.366815D+01  0.434354D+01
      2  -0.375629D+01  0.342405D+01  0.554215D+00  0.434354D+01 -0.632099D+01
      3  -0.719483D+00  0.554215D+00  0.574531D+00  0.966943D+00 -0.124392D+01
               141           142           143           144           145 
      1   0.966943D+00 -0.678918D+00  0.821163D+00  0.135096D+00  0.129884D+02
      2  -0.124392D+01  0.821163D+00 -0.146728D+01 -0.207683D+00  0.118158D+01
      3  -0.905801D+00  0.135096D+00 -0.207683D+00 -0.180532D+00  0.989367D+00
               146           147           148           149           150 
      1   0.118158D+01  0.989367D+00  0.113096D+01  0.159792D+01  0.507265D+00
      2   0.822671D+00  0.739377D-01  0.159792D+01  0.441373D+00  0.153967D+00
      3   0.739377D-01  0.864057D+00  0.507265D+00  0.153967D+00  0.142070D+00
               151           152           153           154           155 
      1   0.106760D+01  0.497566D+00 -0.360447D-01  0.224186D+01  0.255730D+01
      2   0.497566D+00  0.131883D+00  0.193882D-01  0.255730D+01  0.276224D+01
      3  -0.360447D-01  0.193882D-01  0.131728D+00  0.733650D+00  0.734750D+00
               156           157           158           159           160 
      1   0.733650D+00  0.226344D+01  0.367769D+01  0.981235D+00  0.751900D+00
      2   0.734750D+00  0.367769D+01  0.887951D+01  0.217364D+01  0.107669D+01
      3   0.511501D+00  0.981235D+00  0.217364D+01  0.132210D+01  0.265079D+00
               161           162           163           164           165 
      1   0.107669D+01  0.265079D+00 -0.406367D+01  0.214262D+01 -0.548877D-01
      2   0.229788D+01  0.504053D+00  0.214262D+01 -0.245367D+01 -0.307673D+00
      3   0.504053D+00  0.311434D+00 -0.548877D-01 -0.307673D+00 -0.466384D+00
               166           167           168           169           170 
      1   0.226492D+01 -0.267175D+01 -0.571470D+00 -0.698590D-01 -0.473099D+00
      2  -0.267175D+01  0.547157D+01  0.904479D+00 -0.473099D+00  0.110705D+01
      3  -0.571470D+00  0.904479D+00  0.822308D+00 -0.148518D+00  0.206728D+00
               171           172           173           174           175 
      1  -0.148518D+00  0.669688D+00  0.358946D-01 -0.700296D+00 -0.114054D-01
      2   0.206728D+00  0.358946D-01  0.586790D+00 -0.642863D+00 -0.322206D+00
      3   0.174084D+00 -0.700296D+00 -0.642863D+00  0.244526D+01 -0.191968D-01
               176           177           178           179           180 
      1  -0.322206D+00 -0.191968D-01 -0.139691D+01  0.894730D-01 -0.146278D+00
      2   0.137864D+01 -0.768473D+00  0.894730D-01 -0.118894D+01  0.231156D+01
      3  -0.768473D+00  0.219553D+01 -0.146278D+00  0.231156D+01 -0.822627D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321290D-02  0.108894D+01 -0.225675D+01  0.175683D+01  0.261021D+00
      2  -0.897617D+00  0.301695D+01  0.313611D+00  0.148140D+01 -0.368875D+01
      3   0.278430D+01 -0.129532D+02 -0.268330D+01  0.317505D+01 -0.174342D+01
                 6             7             8             9            10 
      1  -0.375877D+01 -0.501749D+01  0.868132D+00 -0.136333D+01 -0.667516D+00
      2   0.561268D+01 -0.833376D+01  0.875318D+01  0.485642D+01  0.161560D+01
      3   0.219705D+01 -0.792847D+00  0.283078D+01 -0.448496D+01  0.118970D+01
                11            12            13            14            15 
      1  -0.405673D+00  0.332526D+01 -0.875417D+00  0.176074D+00 -0.246421D+01
      2   0.292670D+00 -0.173869D+01  0.435894D+01  0.104929D+01  0.656051D+00
      3   0.142186D+01  0.139244D+01  0.292139D+01 -0.709060D+01  0.760769D+00
                16            17            18            19            20 
      1   0.676480D+01  0.305219D+01  0.219279D+00 -0.961941D+00 -0.282348D+00
      2  -0.120114D+02 -0.207724D+00  0.620874D+00 -0.376308D+01 -0.136823D+01
      3  -0.961575D+00  0.799479D-01 -0.575697D+01  0.351247D+00  0.763507D+01
                21            22            23            24            25 
      1   0.652002D-01 -0.116190D+01 -0.386634D+01  0.112806D+01 -0.382656D+00
      2  -0.176626D+01 -0.130964D+01  0.619835D+00  0.210713D+00 -0.150073D+02
      3   0.122623D+01  0.171212D+02  0.210100D+01 -0.196888D+01 -0.477689D-01
                26            27            28            29            30 
      1   0.100341D+02  0.275825D+01  0.857240D-01  0.173630D+01 -0.263250D+01
      2   0.581869D+00 -0.200935D+00  0.402508D+01  0.169743D+01 -0.129490D+01
      3  -0.905657D+00  0.280381D+00 -0.554144D+01 -0.249088D+01 -0.237824D+01
                31            32            33            34            35 
      1   0.109510D+01  0.997487D+00 -0.298595D+01 -0.506229D+01  0.107661D+01
      2   0.166643D+01 -0.812035D+00 -0.140447D+01 -0.136631D+02 -0.145902D+01
      3   0.363588D+01  0.675574D+01  0.244097D+00 -0.268801D+01 -0.592512D+00
                36            37            38            39            40 
      1  -0.852933D+00 -0.426442D+00 -0.127887D+01  0.339085D+01 -0.161107D+01
      2  -0.268652D+01 -0.124991D+01  0.195112D+01  0.291711D+01 -0.109296D+01
      3   0.517391D+01  0.360792D+01 -0.108344D+02 -0.217685D+01  0.670434D+01
                41            42            43            44            45 
      1  -0.182715D+00 -0.242583D+01  0.703990D+01  0.339158D+01  0.114660D+01
      2   0.394389D+01 -0.637238D+01 -0.383797D+01 -0.961139D+01 -0.518376D+01
      3   0.234712D+01 -0.265195D+01  0.147930D+00 -0.374442D+01  0.381705D+01
                46            47            48            49            50 
      1   0.373061D+00 -0.424818D+00 -0.118282D+01 -0.956560D+00 -0.317278D+01
      2   0.430433D+00 -0.595775D+00  0.910644D+01 -0.528494D+01 -0.222246D-01
      3  -0.245860D+01 -0.758923D+01  0.382711D+00  0.115047D+02 -0.186107D+01
                51            52            53            54            55 
      1   0.252815D+01 -0.220175D+01  0.109632D+02  0.332412D+01 -0.967339D+00
      2   0.110292D+01  0.802530D+01  0.197867D+01  0.267905D+01  0.321086D+01
      3   0.132535D+01  0.458201D+01  0.938254D+00 -0.352365D+00 -0.621752D+00
                56            57            58            59            60 
      1  -0.114835D+01 -0.931741D+00  0.277929D+01  0.364269D+01  0.756903D+00
      2   0.127261D+01 -0.340366D+01  0.289850D+01 -0.763902D+01 -0.166120D+01
      3   0.614217D+00  0.700409D+00  0.860148D+01  0.620588D+01  0.787132D+01
                61            62            63            64            65 
      1   0.293238D+01  0.340385D+01 -0.210819D+01 -0.277814D+01  0.260751D+01
      2  -0.158135D+02 -0.664915D+01  0.378715D+01  0.231936D+01 -0.127406D+01
      3  -0.309391D+00  0.125128D+02  0.364150D+01  0.176854D+02 -0.800264D+01
                66            67            68            69            70 
      1   0.279701D+01  0.560579D-01 -0.238574D+01 -0.170515D+01 -0.998145D+00
      2   0.100366D+02  0.130161D+00  0.266409D+01  0.194859D+01  0.117282D+01
      3   0.508894D+01  0.269282D+01  0.365265D+01 -0.418552D+01  0.291427D+01
                71            72            73            74            75 
      1   0.694794D+01 -0.746066D+01  0.364628D+01 -0.306854D+01 -0.338739D+00
      2   0.497466D+01 -0.138598D+02 -0.132742D+02 -0.577360D+01  0.112737D+02
      3  -0.194574D+01 -0.512685D+01  0.302618D+00 -0.100203D+02  0.197162D+01
                76            77            78            79            80 
      1  -0.521449D+00 -0.138765D+01 -0.112028D+02 -0.140827D+01 -0.596499D+01
      2  -0.575796D+01  0.137544D+02  0.205622D+01  0.809813D+01  0.339589D+01
      3  -0.293088D+01  0.243768D+01 -0.141738D+02  0.969553D+00 -0.125658D+02
                81            82            83            84            85 
      1  -0.698091D+00  0.218112D+01  0.973314D+00  0.132893D+01 -0.449089D+00
      2   0.350479D-02 -0.449081D+01 -0.238204D+00  0.523470D+01 -0.105692D+01
      3  -0.175494D+01 -0.115956D+02 -0.475846D+01 -0.178557D+01 -0.994369D+00
                86            87            88            89            90 
      1  -0.360337D+00 -0.654403D+00 -0.145351D+00  0.134881D+00 -0.392912D-02
      2  -0.592970D+00  0.784228D+00  0.651573D+00  0.527696D-01  0.859262D+00
      3   0.993069D+00  0.979995D+00  0.118391D-01  0.713055D+00 -0.152460D+00
                91            92            93            94            95 
      1  -0.690944D+00 -0.679199D-01 -0.808341D+00 -0.976221D+00  0.591984D-01
      2   0.105570D+01  0.321919D+00  0.249558D+01 -0.779790D+00  0.383948D+01
      3  -0.330329D+01 -0.255958D+01 -0.337906D+00  0.346211D+01 -0.124333D+02
                96            97            98            99           100 
      1  -0.453153D+01 -0.849839D+00  0.443556D+00 -0.217413D+01  0.147260D+01
      2   0.368397D+01  0.658933D-01  0.306666D+01  0.293328D+01 -0.152869D+01
      3  -0.378336D+01  0.135268D+01 -0.602667D+01 -0.306106D+01  0.223249D+01
               101           102           103           104           105 
      1   0.134471D+01  0.262757D+00  0.465181D+00  0.783991D+01  0.363652D+01
      2  -0.100383D+01 -0.189264D+01 -0.174971D+01 -0.654537D+01 -0.797953D+01
      3   0.102788D+01  0.862507D-01  0.187349D+01  0.900624D+01  0.659095D+01
               106           107           108           109           110 
      1  -0.324098D+00  0.589551D+01  0.433059D+01 -0.157915D+01  0.228655D+01
      2  -0.248364D+01 -0.414495D+01 -0.821795D+01 -0.316346D+01  0.344484D+01
      3  -0.316441D+00  0.546748D+01  0.467063D+01 -0.424813D+01  0.431959D+01
               111           112           113           114           115 
      1   0.580721D+00  0.123428D+01 -0.525508D+01  0.633369D-01  0.262404D+00
      2  -0.350010D+01  0.386345D+01 -0.797692D+01  0.623739D+01 -0.350933D+01
      3  -0.239106D+01  0.543803D+01 -0.112374D+02  0.702593D+01 -0.158386D+01
               116           117           118           119           120 
      1   0.356266D+01  0.586800D-02 -0.122959D+01 -0.207664D+01 -0.140107D+01
      2   0.466217D+01 -0.621715D+01  0.103081D+02  0.125512D+01  0.656806D+01
      3   0.527377D+01 -0.484773D+01  0.338838D+01 -0.584867D+01  0.740561D-01
               121           122           123           124           125 
      1  -0.161694D+01 -0.487780D+00 -0.132912D+00 -0.810288D+00  0.106382D+01
      2   0.190077D+01 -0.378503D+00  0.937935D+00  0.106073D+01 -0.577435D-01
      3  -0.162951D+01 -0.163279D+01  0.170458D+01 -0.109591D+00  0.128133D+01
               126           127           128           129           130 
      1  -0.255470D+00  0.115808D+00  0.287157D+00 -0.145168D+01  0.115257D+00
      2   0.861653D+00 -0.176786D+01 -0.116527D+01  0.128586D+00 -0.171068D+01
      3   0.735381D+00  0.629800D+01  0.332901D+01  0.131103D+01  0.689054D+01
               131           132           133           134           135 
      1   0.790700D+00 -0.395992D+01  0.553830D+00  0.233504D+01 -0.573859D+00
      2  -0.230619D+01  0.480270D-01 -0.201270D+01 -0.641711D+00  0.104184D+00
      3   0.810358D+01  0.255990D+01  0.231198D+01  0.227484D+01  0.454631D+00
               136           137           138           139           140 
      1   0.181484D+00 -0.606211D+00  0.216346D+01  0.299568D+00  0.262154D+00
      2   0.677708D-02  0.120389D+00  0.279613D+01  0.937764D+00 -0.176792D+01
      3   0.148829D+01 -0.489431D+01 -0.334346D+00 -0.321037D+01  0.106745D+02
               141           142           143           144           145 
      1  -0.328382D+01 -0.978991D+00  0.169843D+01 -0.392350D+00 -0.144271D+00
      2  -0.336123D+01 -0.940103D+00  0.547064D+00 -0.473995D+00  0.117929D+01
      3   0.164794D+01 -0.105805D+01  0.260023D+01  0.242274D+00 -0.450103D+00
               146           147           148           149           150 
      1   0.372678D+00 -0.569270D+00  0.149018D-01  0.273309D-01 -0.477176D+00
      2  -0.129034D-01  0.606144D+01  0.179268D+01  0.374581D+00  0.837591D+00
      3  -0.537472D+01  0.873813D-01 -0.369575D+01 -0.127167D+01 -0.398474D+00
               151           152           153           154           155 
      1   0.410373D+00  0.555062D+00 -0.444268D-01 -0.208618D+00  0.137843D+00
      2  -0.288160D+01 -0.176523D+00  0.434624D+00  0.307132D+00  0.646466D+00
      3  -0.155794D+01 -0.769546D+00 -0.282607D-01 -0.716331D+00 -0.269744D+01
               156           157           158           159           160 
      1  -0.163295D+01 -0.245216D+00  0.483649D+00 -0.430970D+01  0.575184D+00
      2   0.170499D+01  0.603887D+00  0.313645D+01  0.336556D+01 -0.656597D+00
      3  -0.485897D+00 -0.115882D+01 -0.129499D+02 -0.286629D+01 -0.374139D+00
               161           162           163           164           165 
      1   0.204756D+01 -0.615082D+00  0.133638D+01 -0.826411D+00  0.229424D+01
      2   0.122612D+00  0.745806D+00  0.257898D+01 -0.926263D+00  0.794413D+00
      3  -0.343924D+01 -0.657336D+00 -0.115710D+02  0.358670D+01 -0.533896D+00
               166           167           168           169           170 
      1   0.788235D-01  0.630389D-01 -0.305303D+01  0.112200D+00  0.194708D+01
      2  -0.934390D+00  0.125240D+01 -0.103959D+01 -0.150064D+01  0.442993D+00
      3   0.656273D+01 -0.476958D+01 -0.131499D+01 -0.772519D+00 -0.116475D+01
               171           172           173           174           175 
      1  -0.960585D-01  0.264700D+00 -0.649214D+00 -0.300256D+01 -0.895786D-01
      2  -0.304341D+00  0.370646D+01  0.123954D+01 -0.597351D+01  0.430080D-01
      3  -0.333418D+00  0.110669D+01  0.155184D+01 -0.211496D+01  0.683284D+00
               176           177           178           179           180 
      1  -0.405724D+00 -0.302939D+01 -0.400680D+00  0.108139D+01  0.775476D+01
      2   0.109549D+01 -0.566346D+01 -0.407010D+01 -0.570394D+01  0.186499D+02
      3   0.278583D+01 -0.955820D+00 -0.171815D+01 -0.281819D+01  0.754059D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.759909D+01 -0.225460D+02 -0.350294D+01  0.222617D+02  0.114325D+02
      2  -0.706299D+01  0.149619D+02  0.796141D+00 -0.192183D+02 -0.139358D+02
      3  -0.536097D+00  0.758413D+01  0.270680D+01 -0.304344D+01  0.250337D+01
      4  -0.153566D+02 -0.531678D+01 -0.346598D+01  0.121190D+02 -0.556180D+00
      5  -0.652568D+01 -0.156783D+01 -0.270169D+01  0.274275D+00 -0.786766D+01
      6  -0.469695D+01 -0.116478D+01  0.469326D+01 -0.603667D+01 -0.121007D+02
                 6             7             8             9            10 
      1   0.381834D+01  0.532558D+01  0.871071D+00 -0.577467D+01 -0.390368D+00
      2  -0.777873D+01 -0.865655D+01 -0.938928D+01 -0.573062D+01 -0.488464D+00
      3   0.396038D+01  0.333097D+01  0.851821D+01  0.115053D+02  0.878832D+00
      4  -0.734272D+01 -0.301901D+01 -0.100743D+02  0.133766D+02  0.101726D+02
      5   0.114103D+02  0.130395D+02  0.135551D+02  0.105513D+02  0.346273D+01
      6   0.560079D+01  0.526405D+01  0.135124D+02  0.358362D+01  0.255098D+01
                11            12            13            14            15 
      1   0.180894D+02  0.501083D+01 -0.439610D+01  0.589350D+00  0.486024D+01
      2  -0.132378D+02  0.851169D+00  0.120441D+02 -0.336614D+01 -0.362971D+01
      3  -0.485156D+01 -0.586200D+01 -0.764796D+01  0.277678D+01 -0.123053D+01
      4  -0.117829D+02 -0.762797D+00  0.371182D+01  0.131358D+02  0.284461D+01
      5  -0.174205D+01 -0.271983D+01  0.380389D+01  0.267482D+01 -0.161001D+00
      6  -0.105165D+01 -0.691975D+01  0.868716D+01 -0.588774D+01  0.523327D+01
                16            17            18            19            20 
      1  -0.174906D+01  0.524560D+01 -0.140517D+02 -0.200876D+02 -0.296153D+01
      2   0.770819D+01 -0.751954D+01  0.161759D+01  0.546539D+01  0.268869D+01
      3  -0.595913D+01  0.227394D+01  0.124341D+02  0.146222D+02  0.272833D+00
      4   0.290188D+01  0.935321D+00  0.367054D+01  0.492053D+01  0.145094D+01
      5   0.308146D+01  0.243113D+01 -0.258091D+00 -0.882317D+01 -0.133821D+01
      6  -0.264775D+01  0.108232D+02  0.323896D+00 -0.406494D+01  0.408652D+00
                21            22            23            24            25 
      1  -0.371557D+01  0.120581D+01 -0.782746D+01 -0.132615D+01 -0.543534D+01
      2  -0.339057D+00 -0.330630D+01  0.138328D+02  0.808085D+01 -0.145611D+01
      3   0.405463D+01  0.210049D+01 -0.600537D+01 -0.675470D+01  0.689145D+01
      4  -0.793254D+00 -0.890633D+01 -0.207859D+01  0.144020D+01 -0.620934D+01
      5   0.119579D+00 -0.642042D+01  0.145257D+01 -0.371511D+00  0.609512D+01
      6   0.141867D+01 -0.290610D+01  0.608918D+01 -0.155548D+01  0.541922D-01
                26            27            28            29            30 
      1  -0.208050D+01 -0.821169D+01  0.126712D+02 -0.114822D+02 -0.444721D+00
      2   0.421135D+01 -0.294601D+01 -0.835189D+01  0.872748D+01 -0.172949D+01
      3  -0.213085D+01  0.111577D+02 -0.431929D+01  0.275472D+01  0.217421D+01
      4   0.235571D+01  0.149398D+01 -0.645465D+01 -0.192066D+02 -0.403427D+01
      5   0.111071D+01 -0.836258D+00  0.225685D+01 -0.289493D+01 -0.547565D+01
      6   0.740505D+01 -0.351855D+01 -0.179749D+01 -0.190039D+01  0.535956D+01
                31            32            33            34            35 
      1   0.490082D+00  0.706320D+01  0.511895D+01  0.240163D+01  0.381937D+01
      2  -0.864072D+01 -0.100284D+02 -0.830809D+01 -0.472654D+01 -0.112288D+02
      3   0.815064D+01  0.296519D+01  0.318915D+01  0.232490D+01  0.740947D+01
      4   0.111707D+02 -0.132865D+02 -0.236037D+01 -0.732211D+00 -0.296798D+01
      5  -0.555730D+00 -0.268734D+01 -0.106099D+01  0.348452D+01 -0.586241D+01
      6  -0.612329D+01 -0.109285D+02  0.376431D+01  0.136937D+01  0.122744D+02
                36            37            38            39            40 
      1  -0.156878D+02 -0.250072D+01  0.242139D+02  0.649781D+01 -0.287670D+02
      2  -0.738063D+00 -0.122712D+01 -0.156411D+02  0.511072D+00  0.267566D+02
      3   0.164259D+02  0.372784D+01 -0.857281D+01 -0.700888D+01  0.201035D+01
      4  -0.718779D+01  0.153961D+02  0.469539D+01  0.262946D+01  0.317069D+01
      5  -0.463489D+01 -0.660212D-01  0.733770D+00  0.588272D+01 -0.588731D+01
      6   0.475419D+01  0.617670D+00 -0.155662D+01 -0.780038D+01  0.861102D+01
                41            42            43            44            45 
      1   0.463042D+01  0.127392D+01 -0.953448D+01  0.437986D+01  0.235752D+01
      2  -0.725665D+01 -0.170557D+01  0.117495D+02 -0.877472D+01 -0.900864D+01
      3   0.262623D+01  0.431658D+00 -0.221500D+01  0.439486D+01  0.665112D+01
      4   0.796335D+01  0.109899D+02 -0.179977D+01  0.961684D+01 -0.138195D+02
      5   0.924815D+01 -0.129339D+02  0.197233D+02 -0.141170D+02 -0.110323D+02
      6  -0.771495D+01  0.479760D+01 -0.589385D+01  0.116939D+02 -0.279789D+00
                46            47            48            49            50 
      1  -0.871701D+01 -0.341462D+01 -0.540782D+01  0.100188D+02 -0.206143D+02
      2   0.525920D+01  0.269194D+01  0.175436D+01 -0.848419D+01  0.178040D+02
      3   0.345781D+01  0.722680D+00  0.365345D+01 -0.153463D+01  0.281031D+01
      4  -0.145573D+01  0.241102D+02  0.297419D+00 -0.205202D+02 -0.374549D+01
      5  -0.388583D+01 -0.243912D-01  0.207854D+02 -0.147698D+02 -0.129562D+01
      6   0.524546D+00  0.204765D+00  0.256535D+01 -0.344087D+01  0.490463D+01
                51            52            53            54            55 
      1  -0.895546D+01 -0.322132D+01 -0.939362D+01  0.133468D+02  0.108599D+02
      2   0.118925D+02 -0.986454D+00  0.654499D+01 -0.161406D+02 -0.260942D+01
      3  -0.293707D+01  0.420778D+01  0.284863D+01  0.279386D+01 -0.825043D+01
      4  -0.429195D+01 -0.152705D+02 -0.157136D+01  0.174022D+01  0.213213D+01
      5   0.198955D+01  0.354494D+02  0.291500D+01  0.583243D+01  0.640504D+01
      6  -0.416556D+01  0.120093D+01  0.711023D+01 -0.480248D+01  0.275942D+01
                56            57            58            59            60 
      1   0.519979D+00 -0.219078D+01  0.117543D+02  0.607560D+01  0.813707D+01
      2   0.341918D+01 -0.138379D+01 -0.796448D+01 -0.126068D+02 -0.173659D+02
      3  -0.393916D+01  0.357458D+01 -0.378977D+01  0.653116D+01  0.922881D+01
      4  -0.119119D+02  0.352633D+01 -0.130949D+02 -0.214229D+02 -0.178624D+02
      5   0.362693D+01 -0.167008D+02  0.181744D+02 -0.155104D+02 -0.594508D+00
      6  -0.723926D+00 -0.647795D+00 -0.587714D+01 -0.119084D+02 -0.642489D+01
                61            62            63            64            65 
      1   0.562601D+01  0.709664D+01 -0.592901D+01 -0.373700D+02  0.404484D+00
      2  -0.117183D+02 -0.344627D+01  0.755047D+01  0.253574D+02 -0.568711D+01
      3   0.609228D+01 -0.365037D+01 -0.162146D+01  0.120125D+02  0.528262D+01
      4   0.151585D+02 -0.199565D+02 -0.132166D+02 -0.145041D+01  0.145462D+02
      5  -0.299428D+02 -0.127325D+02  0.995565D+01 -0.170610D+02 -0.102888D+01
      6  -0.779223D+01 -0.103675D+02  0.331188D+01 -0.839969D+00  0.156469D+01
                66            67            68            69            70 
      1  -0.106083D+02 -0.111734D+02 -0.369384D+01 -0.359558D+01 -0.912392D+01
      2   0.873193D+00  0.299114D+01  0.138600D+02 -0.155915D+01  0.233748D+01
      3   0.973511D+01  0.818227D+01 -0.101661D+02  0.515473D+01  0.678644D+01
      4   0.130268D+01  0.177112D+02 -0.915444D+01  0.114762D+02 -0.124438D+01
      5   0.127570D+02 -0.107406D+02  0.101942D+02  0.505570D+00  0.114162D+02
      6  -0.354208D+01  0.623659D+01 -0.446777D+01  0.652511D+01 -0.160991D+01
                71            72            73            74            75 
      1   0.184073D+00  0.160670D+02 -0.560141D+02 -0.162973D+02  0.101233D+02
      2  -0.917278D+01  0.405403D-01  0.223974D+02  0.976562D+01 -0.995896D+00
      3   0.898870D+01 -0.161076D+02  0.336168D+02  0.653169D+01 -0.912744D+01
      4   0.453330D+01  0.221495D+01 -0.213033D+02  0.811163D+01 -0.311815D+01
      5   0.456468D+01 -0.158471D+02  0.137513D+02 -0.344622D+00  0.137512D+02
      6   0.460423D+01  0.873249D+01  0.404414D+01 -0.711460D+01  0.432346D+01
                76            77            78            79            80 
      1  -0.171828D+02  0.191171D+02 -0.431832D+01  0.453517D-01 -0.622083D+01
      2   0.912249D+01 -0.496564D+01  0.133716D+02  0.954754D+01  0.118916D+02
      3   0.806033D+01 -0.141515D+02 -0.905331D+01 -0.959289D+01 -0.567073D+01
      4   0.732139D+01  0.294628D+01  0.180367D+02 -0.956285D+01  0.131817D+02
      5  -0.396742D+01  0.134302D+02  0.871151D+01  0.258179D+02  0.114827D+02
      6  -0.391721D+01  0.369918D+01 -0.126816D+02  0.887914D+01 -0.799994D+01
                81            82            83            84            85 
      1   0.123996D+02  0.740295D+02 -0.276399D+01  0.103830D+02  0.410186D+01
      2  -0.130692D+02 -0.436776D+02  0.122193D+01 -0.941007D+01 -0.132714D+01
      3   0.669538D+00 -0.303519D+02  0.154206D+01 -0.972947D+00 -0.277472D+01
      4   0.118690D+02 -0.140594D+02  0.701904D+01 -0.388748D+01  0.527719D+01
      5  -0.150132D+02  0.300616D+02 -0.306841D+01  0.147028D+02 -0.108893D+01
      6  -0.603140D+01 -0.244682D+01  0.209256D+01 -0.251079D+01  0.182848D+01
                86            87            88            89            90 
      1   0.223653D+01 -0.205146D+01  0.311867D+01 -0.131706D+01  0.353471D+01
      2   0.403471D+00  0.155935D+01 -0.238855D+01  0.109465D+01 -0.354610D+01
      3  -0.264001D+01  0.492114D+00 -0.730114D+00  0.222408D+00  0.113907D-01
      4  -0.188768D+01  0.128218D+00 -0.243116D+01 -0.228388D+00 -0.134051D+01
      5   0.806753D-01 -0.663469D+00  0.910752D+01 -0.149027D+01  0.461568D+01
      6  -0.202089D+00  0.119389D+01 -0.137069D+01  0.104073D+01 -0.855198D+00
                91            92            93            94            95 
      1   0.116189D+01  0.232194D+01  0.188498D+01  0.595323D+00 -0.134086D+02
      2   0.176485D+01 -0.767249D-01  0.911572D-01  0.228774D+01  0.215772D+02
      3  -0.292674D+01 -0.224522D+01 -0.197614D+01 -0.288306D+01 -0.816857D+01
      4   0.713877D+01  0.116872D+02  0.290240D+01  0.107850D+02  0.296673D+02
      5   0.253650D+01  0.284526D+01  0.716065D+01  0.269771D+01  0.789731D+01
      6   0.405561D+01  0.182750D+01  0.106300D+01  0.291992D+01  0.162276D+02
                96            97            98            99           100 
      1  -0.512712D+01  0.407995D+00 -0.680508D+01 -0.530019D+01  0.386544D+01
      2   0.744646D+01  0.132818D+01  0.539720D+01  0.180029D+01 -0.242443D+01
      3  -0.231934D+01 -0.173618D+01  0.140788D+01  0.349990D+01 -0.144101D+01
      4   0.887974D+01  0.271260D+01  0.136445D+02  0.889432D+01 -0.588231D+00
      5   0.833926D+01  0.777006D+01  0.800028D+01  0.673087D+01 -0.221214D+01
      6   0.102503D+02  0.310751D+01  0.128262D+02  0.900506D+01  0.189525D+01
               101           102           103           104           105 
      1  -0.143861D+01 -0.513277D+01 -0.529004D+01 -0.768110D+01 -0.601612D+01
      2   0.598323D+00  0.239524D+00  0.380484D+01 -0.842733D-01 -0.669311D+01
      3   0.840291D+00  0.489324D+01  0.148520D+01  0.776537D+01  0.127092D+02
      4  -0.288005D+00  0.296034D+00  0.197654D+01 -0.159841D+02 -0.109577D+02
      5   0.154572D+01 -0.217260D+00  0.756208D+01 -0.912320D+01 -0.152998D+02
      6   0.164996D+01  0.603349D-01 -0.335783D+00  0.116793D+02  0.989447D+01
               106           107           108           109           110 
      1  -0.394259D+01 -0.397368D+01 -0.105121D+02 -0.104271D+01  0.945462D+01
      2   0.256184D+01 -0.518905D+01 -0.691041D+01  0.171119D+01 -0.650786D+01
      3   0.138075D+01  0.916273D+01  0.174225D+02 -0.668484D+00 -0.294676D+01
      4   0.866693D+00 -0.951540D+01 -0.810261D+01  0.177563D+01 -0.270101D+01
      5   0.438146D+01 -0.685447D+01 -0.138380D+02  0.332860D+00 -0.845816D-01
      6  -0.670769D+00  0.916060D+01  0.737545D+01 -0.354432D+01  0.641179D+01
               111           112           113           114           115 
      1  -0.808949D+01  0.947826D+01 -0.196521D+02  0.124977D+02 -0.419627D+01
      2   0.194118D+01 -0.540567D+01  0.168890D+02 -0.534553D+01  0.877642D+00
      3   0.614831D+01 -0.407259D+01  0.276307D+01 -0.715215D+01  0.331863D+01
      4   0.164635D+01  0.251345D+01  0.158637D+02 -0.102006D+02  0.185873D+00
      5  -0.272017D+01 -0.430052D+01 -0.756019D+01  0.780138D+01  0.215504D+01
      6  -0.537305D+01  0.204898D+01 -0.180904D+02  0.146902D+02 -0.235334D+01
               116           117           118           119           120 
      1   0.996182D+01 -0.134038D+02  0.829394D+02  0.105005D+02 -0.593907D+01
      2  -0.391798D+01  0.154263D+01 -0.414292D+02 -0.332981D+01  0.688326D+01
      3  -0.604383D+01  0.118612D+02 -0.415102D+02 -0.717065D+01 -0.944196D+00
      4  -0.733221D+01  0.510618D+01  0.252188D+02  0.145532D+02 -0.339839D+01
      5   0.438285D+01 -0.665277D+01 -0.296897D+02 -0.499692D+01  0.154097D+02
      6   0.127101D+02 -0.110290D+02 -0.510680D+01 -0.367685D+01  0.296621D+01
               121           122           123           124           125 
      1   0.984464D+01  0.550388D+01  0.302934D+00  0.454572D+01  0.877302D+00
      2  -0.289043D+01 -0.155723D+01 -0.372131D+00  0.253065D+00 -0.315818D+00
      3  -0.695421D+01 -0.394666D+01  0.691961D-01 -0.479878D+01 -0.561485D+00
      4   0.146641D+02  0.687800D+01 -0.325626D+01  0.168809D+01 -0.317092D+00
      5  -0.380532D+01 -0.424035D+01  0.193721D+01  0.820124D+01  0.610636D+00
      6  -0.269649D+01 -0.195337D+01  0.323065D+01  0.169061D+01  0.209456D+01
               126           127           128           129           130 
      1   0.458696D+01 -0.506433D+01 -0.844863D+01 -0.295721D+01 -0.749440D+01
      2  -0.332471D+01  0.620579D+01  0.993972D+01  0.216872D+01  0.895806D+01
      3  -0.126225D+01 -0.114146D+01 -0.149110D+01  0.788487D+00 -0.146367D+01
      4   0.129302D+01  0.348335D+01  0.685729D+01  0.142600D+01  0.503049D+01
      5  -0.110652D+01  0.113704D+01  0.128311D+01  0.184311D+01  0.109096D+01
      6  -0.676166D-02  0.260775D+01  0.399936D+01  0.256125D+01  0.322554D+01
               131           132           133           134           135 
      1  -0.311133D+02 -0.885181D+01 -0.227143D+01 -0.848979D+01 -0.320136D+01
      2   0.398513D+02  0.799343D+01  0.265900D+01  0.102353D+02  0.352020D+01
      3  -0.873799D+01  0.858371D+00 -0.387574D+00 -0.174547D+01 -0.318844D+00
      4  -0.692214D+00 -0.646604D+00  0.146391D+01 -0.107751D+00  0.127286D+01
      5  -0.669898D+00  0.595244D-01  0.976739D+00  0.525876D+00  0.699625D+00
      6   0.135967D+02  0.912443D+01  0.103860D+01  0.485096D+01  0.356490D+01
               136           137           138           139           140 
      1   0.211474D+02 -0.131504D+02 -0.270952D+01 -0.900220D+01  0.320890D+01
      2  -0.368770D+01 -0.128983D+01  0.807581D+00 -0.599052D+01  0.162587D+02
      3  -0.174597D+02  0.144402D+02  0.190194D+01  0.149927D+02 -0.194676D+02
      4  -0.321751D+02  0.297029D+02  0.472117D+01  0.330346D+02 -0.425855D+02
      5  -0.672922D+01  0.490230D+01  0.622588D+01  0.727744D+01 -0.853243D+01
      6   0.264714D+01 -0.238786D+01 -0.309484D+01 -0.462738D+01  0.645167D+01
               141           142           143           144           145 
      1   0.774662D+00 -0.108430D+01 -0.435275D-01 -0.135801D+00  0.981066D+02
      2   0.963729D+00 -0.145472D+01  0.332485D+01  0.106032D+01 -0.548759D+02
      3  -0.173839D+01  0.253902D+01 -0.328132D+01 -0.924520D+00 -0.432307D+02
      4  -0.807541D+01  0.637731D+01 -0.826803D+01 -0.265501D+01  0.128338D+02
      5  -0.613098D+01  0.222938D+01 -0.217715D+01 -0.147597D+01  0.952890D+01
      6   0.610552D+01 -0.162464D+01  0.235573D+01  0.202862D+01 -0.210546D+01
               146           147           148           149           150 
      1   0.827952D+01  0.632205D+01  0.702249D+01  0.913190D+01  0.213419D+01
      2  -0.402785D+01 -0.425601D+01 -0.311453D+01 -0.407370D+01 -0.181304D+01
      3  -0.425167D+01 -0.206603D+01 -0.390796D+01 -0.505819D+01 -0.321146D+00
      4   0.954488D+01  0.691685D+00  0.150488D+02  0.397884D+01  0.140787D+01
      5   0.647479D+00  0.101067D+02  0.416179D+01  0.152997D+01  0.139973D+01
      6   0.277400D+00  0.502883D+00  0.820603D+00 -0.101333D+00  0.161086D+01
               151           152           153           154           155 
      1   0.787939D+01  0.236027D+01  0.260011D+01  0.540935D+01  0.433466D+01
      2  -0.423007D+01 -0.127631D+01 -0.153318D+01  0.305055D+01  0.509348D+01
      3  -0.364931D+01 -0.108396D+01 -0.106693D+01 -0.845990D+01 -0.942814D+01
      4   0.448521D+01  0.160764D+01  0.697611D+00  0.182369D+02  0.228033D+02
      5   0.190603D+01  0.423593D+00  0.127919D+01  0.474158D+01  0.540591D+01
      6   0.723227D-01  0.519760D+00  0.576668D+00  0.360253D+01  0.426135D+01
               156           157           158           159           160 
      1   0.101144D+01 -0.808075D+00 -0.151147D+02 -0.383020D+01  0.183879D+00
      2   0.423439D+00  0.108294D+02  0.353830D+02  0.572097D+01  0.219064D+01
      3  -0.143488D+01 -0.100214D+02 -0.202683D+02 -0.189076D+01 -0.237452D+01
      4   0.554204D+01  0.239254D+02  0.448747D+02  0.106322D+02  0.654221D+01
      5   0.502643D+01  0.591055D+01  0.102902D+02  0.649078D+01  0.234686D+01
      6   0.295787D+01  0.582961D+01  0.138284D+02  0.942260D+01  0.224989D+01
               161           162           163           164           165 
      1  -0.324467D+01 -0.179182D+01 -0.306807D+01  0.682619D+01  0.150936D+01
      2   0.779016D+01  0.278257D+01  0.466961D+01 -0.950509D+01 -0.146750D+01
      3  -0.454549D+01 -0.990747D+00 -0.160153D+01  0.267891D+01 -0.418584D-01
      4   0.120089D+02  0.380000D+01 -0.889311D+01  0.723164D+01  0.550384D+00
      5   0.310855D+01  0.233458D+01  0.726218D+00  0.811125D+00  0.201515D+01
      6   0.483981D+01  0.356591D+01  0.357360D+00 -0.173961D+01 -0.242069D+01
               166           167           168           169           170 
      1   0.826349D+01 -0.195595D+02 -0.375745D+01  0.189354D+01 -0.370899D+01
      2  -0.106991D+02  0.260441D+02  0.309096D+01 -0.240934D+01  0.454166D+01
      3   0.243565D+01 -0.648454D+01  0.666490D+00  0.515796D+00 -0.832670D+00
      4   0.725179D+01 -0.790885D+01 -0.110024D+01  0.831676D+00 -0.119884D+01
      5   0.131616D+01 -0.118703D+01 -0.138016D+01  0.143372D+01 -0.700337D+00
      6  -0.276699D+01  0.528863D+01  0.506165D+01 -0.126263D+01  0.206343D+01
               171           172           173           174           175 
      1  -0.603562D+00 -0.315000D+01 -0.225785D+01  0.957889D+01 -0.101469D+01
      2   0.123555D+01 -0.239108D+00  0.102966D+00  0.142925D+01  0.430958D+00
      3  -0.631993D+00  0.338910D+01  0.215489D+01 -0.110081D+02  0.583732D+00
      4  -0.203902D+01  0.565876D+00 -0.203327D+01 -0.268031D+00  0.309796D+01
      5  -0.885477D+00  0.126977D+01  0.109284D+01 -0.553562D+01 -0.733264D+00
      6   0.137830D+01 -0.105966D+01 -0.138175D+01  0.383750D+01 -0.262304D+00
               176           177           178           179           180 
      1  -0.304004D+01  0.504261D+01  0.831919D+01  0.661268D+01 -0.234326D+02
      2   0.140222D+01  0.218917D+01 -0.399822D+01  0.132982D+01 -0.113461D+02
      3   0.163782D+01 -0.723178D+01 -0.432097D+01 -0.794250D+01  0.347787D+02
      4  -0.586750D+01  0.147640D+01 -0.294480D+01  0.365390D+01 -0.706822D+01
      5   0.187593D+01 -0.100484D+02  0.661599D+01 -0.903902D+01  0.307989D+02
      6  -0.260624D+01  0.803701D+01  0.437157D+00  0.755561D+01 -0.158741D+02
 Leave Link  716 at Thu Aug 12 22:35:38 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.135289D+03  0.137977D+00  0.121765D+01
      2   0.137977D+00  0.109073D+03  0.580361D+01
      3   0.121765D+01  0.580361D+01  0.797152D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.173076D+01  0.170972D+01  0.472520D+00
      2   0.405597D+01  0.138854D+02 -0.110497D+02
      3  -0.394550D+01 -0.325652D+02 -0.128015D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.688886D+02  0.501883D+01  0.293940D+01
      2  -0.198270D+02 -0.609401D+01 -0.730560D+01
      3  -0.490616D+02  0.107518D+01  0.436619D+01
      4  -0.540684D+01  0.632639D+02  0.341115D+02
      5   0.191763D+02  0.352788D+02 -0.312074D+02
      6   0.141354D+02  0.476399D+01 -0.385714D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.424823D+01 -0.683132D+00 -0.179921D+00  0.543478D+01  0.491827D+00
      2  -0.683132D+00  0.278388D+01 -0.210932D+00  0.491827D+00  0.164520D+01
      3  -0.179921D+00 -0.210932D+00  0.938063D+00 -0.423148D+00 -0.117929D+01
                 6             7             8             9            10 
      1  -0.423148D+00  0.897084D+00 -0.769547D+00  0.200847D+01  0.398205D+01
      2  -0.117929D+01 -0.769547D+00 -0.135573D+01  0.366208D+01 -0.571230D+00
      3   0.217160D+01  0.200847D+01  0.366208D+01  0.289548D+01  0.203609D+00
                11            12            13            14            15 
      1  -0.571230D+00  0.203609D+00  0.844507D+01 -0.102119D+00  0.208454D+00
      2  -0.390290D+01 -0.677556D+00 -0.102119D+00  0.181079D+01 -0.886006D+00
      3  -0.677556D+00 -0.211433D+01  0.208454D+00 -0.886006D+00  0.155848D+01
                16            17            18            19            20 
      1   0.293581D+01 -0.905199D-01 -0.180884D+01 -0.174646D+02 -0.222388D+01
      2  -0.905199D-01 -0.154099D+01  0.300570D+01 -0.222388D+01 -0.250191D+01
      3  -0.180884D+01  0.300570D+01  0.149124D+01  0.422251D+00  0.176976D+00
                21            22            23            24            25 
      1   0.422251D+00 -0.279075D+01  0.130074D+01  0.160718D+01 -0.796072D+00
      2   0.176976D+00  0.130074D+01 -0.409193D+00 -0.282661D+00  0.146257D+01
      3  -0.232222D+01  0.160718D+01 -0.282661D+00  0.103209D+00 -0.401803D+01
                26            27            28            29            30 
      1   0.146257D+01 -0.401803D+01  0.524301D+01  0.262966D+01  0.729362D+00
      2  -0.632795D+00 -0.544477D+00  0.262966D+01 -0.279930D+01 -0.203297D+00
      3  -0.544477D+00 -0.770942D+00  0.729362D+00 -0.203297D+00 -0.135806D+01
                31            32            33            34            35 
      1  -0.712692D+01 -0.652550D+00  0.262442D+00 -0.105127D+01  0.988397D+00
      2  -0.652550D+00 -0.217207D+01  0.115933D+01  0.988397D+00  0.118537D+01
      3   0.262442D+00  0.115933D+01 -0.176469D+01 -0.865865D+00 -0.334377D+01
                36            37            38            39            40 
      1  -0.865865D+00 -0.269557D+01 -0.877662D+00 -0.408816D+00 -0.617792D+01
      2  -0.334377D+01 -0.877662D+00  0.320260D+01  0.929300D+00 -0.615286D+00
      3  -0.302901D+01 -0.408816D+00  0.929300D+00  0.211722D+01 -0.100678D+01
                41            42            43            44            45 
      1  -0.615286D+00 -0.100678D+01 -0.185287D+01 -0.738725D+00  0.303955D+01
      2  -0.117274D+01  0.148819D+01 -0.738725D+00  0.191750D+01 -0.307361D+01
      3   0.148819D+01 -0.195048D+01  0.303955D+01 -0.307361D+01 -0.184942D+01
                46            47            48            49            50 
      1   0.656507D+01  0.509397D+00 -0.426270D+00  0.114163D+01 -0.673612D+00
      2   0.509397D+00  0.350521D+01  0.496014D-01 -0.673612D+00  0.165023D+00
      3  -0.426270D+00  0.496014D-01  0.322967D+01 -0.152527D+01 -0.693182D+00
                51            52            53            54            55 
      1  -0.152527D+01 -0.477700D-01 -0.153670D+01  0.534360D+01  0.384271D+01
      2  -0.693182D+00 -0.153670D+01  0.234750D-01  0.385471D+00  0.415846D+00
      3   0.435249D-01  0.534360D+01  0.385471D+00  0.103440D+01 -0.119123D+01
                56            57            58            59            60 
      1   0.415846D+00 -0.119123D+01  0.990391D-01  0.226250D+01 -0.264977D+01
      2   0.118967D+01 -0.120414D+01  0.226250D+01  0.515787D+01  0.372699D+01
      3  -0.120414D+01  0.268503D+01 -0.264977D+01  0.372699D+01  0.722243D+00
                61            62            63            64            65 
      1  -0.552454D+01 -0.212417D+01  0.496738D+01  0.728733D+01  0.135049D+01
      2  -0.212417D+01  0.356593D+01  0.274368D+01  0.135049D+01 -0.983703D+00
      3   0.496738D+01  0.274368D+01 -0.233150D+01  0.134083D+01  0.591227D+00
                66            67            68            69            70 
      1   0.134083D+01  0.359618D+01 -0.186258D+01  0.150203D+01  0.150464D+01
      2   0.591227D+00 -0.186258D+01  0.864799D+00 -0.186935D+01  0.477413D+00
      3  -0.196429D+01  0.150203D+01 -0.186935D+01 -0.546862D+00 -0.183429D+01
                71            72            73            74            75 
      1   0.477413D+00 -0.183429D+01  0.899042D+01  0.203836D+01  0.144776D-01
      2  -0.454622D+00 -0.131408D+01  0.203836D+01 -0.212295D+01  0.113732D+01
      3  -0.131408D+01  0.508450D+01  0.144776D-01  0.113732D+01 -0.302208D+01
                76            77            78            79            80 
      1   0.159303D+01 -0.184381D+01  0.164398D+01  0.575944D+01  0.193313D+01
      2  -0.184381D+01  0.230620D+00 -0.425611D+01  0.193313D+01 -0.274113D+01
      3   0.164398D+01 -0.425611D+01 -0.130321D+01 -0.446293D+01 -0.181953D+01
                81            82            83            84            85 
      1  -0.446293D+01 -0.127388D+02  0.852868D+00 -0.248819D+01 -0.748019D-01
      2  -0.181953D+01  0.852868D+00 -0.807306D+00  0.461064D+00 -0.499186D+00
      3   0.197238D+01 -0.248819D+01  0.461064D+00 -0.174174D+01  0.204889D+00
                86            87            88            89            90 
      1  -0.499186D+00  0.204889D+00 -0.277199D+00  0.225341D+00 -0.850048D+00
      2   0.600025D+00  0.107265D+00  0.225341D+00  0.433494D+00  0.210637D+00
      3   0.107265D+00  0.352653D-01 -0.850048D+00  0.210637D+00 -0.482699D+00
                91            92            93            94            95 
      1   0.526527D-01 -0.124371D+01 -0.473126D+00 -0.261881D+01 -0.144615D+01
      2  -0.124371D+01 -0.122297D+01 -0.266523D+00 -0.144615D+01 -0.669064D+01
      3  -0.473126D+00 -0.266523D+00 -0.867270D+00 -0.375349D+00 -0.205966D+01
                96            97            98            99           100 
      1  -0.375349D+00 -0.584247D+00 -0.299290D+00 -0.115778D+01 -0.400467D+00
      2  -0.205966D+01 -0.299290D+00 -0.301167D+01 -0.205373D+01  0.458821D+00
      3  -0.197828D+01 -0.115778D+01 -0.205373D+01 -0.174826D+01  0.350812D+00
               101           102           103           104           105 
      1   0.458821D+00  0.350812D+00  0.169406D+01 -0.343843D-01 -0.772620D+00
      2   0.380147D+00  0.426368D-01 -0.343843D-01  0.317392D+01  0.224758D+01
      3   0.426368D-01  0.826660D+00 -0.772620D+00  0.224758D+01  0.343578D+01
               106           107           108           109           110 
      1   0.723315D+00 -0.211051D+00 -0.636422D-01  0.252828D+00 -0.995930D+00
      2  -0.211051D+00  0.191394D+01  0.160120D+01 -0.995930D+00  0.147073D+01
      3  -0.636422D-01  0.160120D+01  0.346957D+01  0.524595D+00 -0.975326D+00
               111           112           113           114           115 
      1   0.524595D+00 -0.159680D+01  0.507567D+00 -0.190471D+00  0.327292D+00
      2  -0.975326D+00  0.507567D+00 -0.444480D+01  0.274608D+01 -0.387482D+00
      3   0.160983D+01 -0.190471D+00  0.274608D+01 -0.255631D+01  0.466126D+00
               116           117           118           119           120 
      1  -0.387482D+00  0.466126D+00 -0.136830D+02 -0.213930D+01  0.186740D+01
      2   0.196316D+01 -0.167236D+01 -0.213930D+01 -0.126306D+01  0.377018D+00
      3  -0.167236D+01  0.250561D+01  0.186740D+01  0.377018D+00 -0.158777D+01
               121           122           123           124           125 
      1  -0.208546D+01 -0.148551D+01  0.190768D+00 -0.105171D+01 -0.240797D+00
      2  -0.148551D+01 -0.828174D+00  0.602233D+00 -0.240797D+00  0.384596D-01
      3   0.190768D+00  0.602233D+00 -0.240165D+00 -0.714062D+00 -0.323662D-01
               126           127           128           129           130 
      1  -0.714062D+00 -0.158327D+01 -0.168169D+01 -0.534138D+00 -0.151211D+01
      2  -0.323662D-01 -0.168169D+01 -0.207023D+01 -0.639735D+00 -0.197265D+01
      3  -0.959687D-01 -0.534138D+00 -0.639735D+00 -0.357665D+00 -0.541125D+00
               131           132           133           134           135 
      1  -0.197265D+01 -0.541125D+00 -0.635712D+00 -0.700363D+00 -0.118968D+00
      2  -0.778073D+01 -0.207109D+01 -0.700363D+00 -0.218499D+01 -0.588897D+00
      3  -0.207109D+01 -0.130632D+01 -0.118968D+00 -0.588897D+00 -0.355814D+00
               136           137           138           139           140 
      1   0.476165D+01 -0.375629D+01 -0.719483D+00 -0.366815D+01  0.434354D+01
      2  -0.375629D+01  0.342405D+01  0.554215D+00  0.434354D+01 -0.632099D+01
      3  -0.719483D+00  0.554215D+00  0.574531D+00  0.966943D+00 -0.124392D+01
               141           142           143           144           145 
      1   0.966943D+00 -0.678918D+00  0.821163D+00  0.135096D+00  0.129884D+02
      2  -0.124392D+01  0.821163D+00 -0.146728D+01 -0.207683D+00  0.118158D+01
      3  -0.905801D+00  0.135096D+00 -0.207683D+00 -0.180532D+00  0.989367D+00
               146           147           148           149           150 
      1   0.118158D+01  0.989367D+00  0.113096D+01  0.159792D+01  0.507265D+00
      2   0.822671D+00  0.739377D-01  0.159792D+01  0.441373D+00  0.153967D+00
      3   0.739377D-01  0.864057D+00  0.507265D+00  0.153967D+00  0.142070D+00
               151           152           153           154           155 
      1   0.106760D+01  0.497566D+00 -0.360447D-01  0.224186D+01  0.255730D+01
      2   0.497566D+00  0.131883D+00  0.193882D-01  0.255730D+01  0.276224D+01
      3  -0.360447D-01  0.193882D-01  0.131728D+00  0.733650D+00  0.734750D+00
               156           157           158           159           160 
      1   0.733650D+00  0.226344D+01  0.367769D+01  0.981235D+00  0.751900D+00
      2   0.734750D+00  0.367769D+01  0.887951D+01  0.217364D+01  0.107669D+01
      3   0.511501D+00  0.981235D+00  0.217364D+01  0.132210D+01  0.265079D+00
               161           162           163           164           165 
      1   0.107669D+01  0.265079D+00 -0.406367D+01  0.214262D+01 -0.548877D-01
      2   0.229788D+01  0.504053D+00  0.214262D+01 -0.245367D+01 -0.307673D+00
      3   0.504053D+00  0.311434D+00 -0.548877D-01 -0.307673D+00 -0.466384D+00
               166           167           168           169           170 
      1   0.226492D+01 -0.267175D+01 -0.571470D+00 -0.698590D-01 -0.473099D+00
      2  -0.267175D+01  0.547157D+01  0.904479D+00 -0.473099D+00  0.110705D+01
      3  -0.571470D+00  0.904479D+00  0.822308D+00 -0.148518D+00  0.206728D+00
               171           172           173           174           175 
      1  -0.148518D+00  0.669688D+00  0.358946D-01 -0.700296D+00 -0.114054D-01
      2   0.206728D+00  0.358946D-01  0.586790D+00 -0.642863D+00 -0.322206D+00
      3   0.174084D+00 -0.700296D+00 -0.642863D+00  0.244526D+01 -0.191968D-01
               176           177           178           179           180 
      1  -0.322206D+00 -0.191968D-01 -0.139691D+01  0.894730D-01 -0.146278D+00
      2   0.137864D+01 -0.768473D+00  0.894730D-01 -0.118894D+01  0.231156D+01
      3  -0.768473D+00  0.219553D+01 -0.146278D+00  0.231156D+01 -0.822627D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.321290D-02  0.108894D+01 -0.225675D+01  0.175683D+01  0.261021D+00
      2  -0.897617D+00  0.301695D+01  0.313611D+00  0.148140D+01 -0.368875D+01
      3   0.278430D+01 -0.129532D+02 -0.268330D+01  0.317505D+01 -0.174342D+01
                 6             7             8             9            10 
      1  -0.375877D+01 -0.501749D+01  0.868132D+00 -0.136333D+01 -0.667516D+00
      2   0.561268D+01 -0.833376D+01  0.875318D+01  0.485642D+01  0.161560D+01
      3   0.219705D+01 -0.792847D+00  0.283078D+01 -0.448496D+01  0.118970D+01
                11            12            13            14            15 
      1  -0.405673D+00  0.332526D+01 -0.875417D+00  0.176074D+00 -0.246421D+01
      2   0.292670D+00 -0.173869D+01  0.435894D+01  0.104929D+01  0.656051D+00
      3   0.142186D+01  0.139244D+01  0.292139D+01 -0.709060D+01  0.760769D+00
                16            17            18            19            20 
      1   0.676480D+01  0.305219D+01  0.219279D+00 -0.961941D+00 -0.282348D+00
      2  -0.120114D+02 -0.207724D+00  0.620874D+00 -0.376308D+01 -0.136823D+01
      3  -0.961575D+00  0.799479D-01 -0.575697D+01  0.351247D+00  0.763507D+01
                21            22            23            24            25 
      1   0.652002D-01 -0.116190D+01 -0.386634D+01  0.112806D+01 -0.382656D+00
      2  -0.176626D+01 -0.130964D+01  0.619835D+00  0.210713D+00 -0.150073D+02
      3   0.122623D+01  0.171212D+02  0.210100D+01 -0.196888D+01 -0.477689D-01
                26            27            28            29            30 
      1   0.100341D+02  0.275825D+01  0.857240D-01  0.173630D+01 -0.263250D+01
      2   0.581869D+00 -0.200935D+00  0.402508D+01  0.169743D+01 -0.129490D+01
      3  -0.905657D+00  0.280381D+00 -0.554144D+01 -0.249088D+01 -0.237824D+01
                31            32            33            34            35 
      1   0.109510D+01  0.997487D+00 -0.298595D+01 -0.506229D+01  0.107661D+01
      2   0.166643D+01 -0.812035D+00 -0.140447D+01 -0.136631D+02 -0.145902D+01
      3   0.363588D+01  0.675574D+01  0.244097D+00 -0.268801D+01 -0.592512D+00
                36            37            38            39            40 
      1  -0.852933D+00 -0.426442D+00 -0.127887D+01  0.339085D+01 -0.161107D+01
      2  -0.268652D+01 -0.124991D+01  0.195112D+01  0.291711D+01 -0.109296D+01
      3   0.517391D+01  0.360792D+01 -0.108344D+02 -0.217685D+01  0.670434D+01
                41            42            43            44            45 
      1  -0.182715D+00 -0.242583D+01  0.703990D+01  0.339158D+01  0.114660D+01
      2   0.394389D+01 -0.637238D+01 -0.383797D+01 -0.961139D+01 -0.518376D+01
      3   0.234712D+01 -0.265195D+01  0.147930D+00 -0.374442D+01  0.381705D+01
                46            47            48            49            50 
      1   0.373061D+00 -0.424818D+00 -0.118282D+01 -0.956560D+00 -0.317278D+01
      2   0.430433D+00 -0.595775D+00  0.910644D+01 -0.528494D+01 -0.222246D-01
      3  -0.245860D+01 -0.758923D+01  0.382711D+00  0.115047D+02 -0.186107D+01
                51            52            53            54            55 
      1   0.252815D+01 -0.220175D+01  0.109632D+02  0.332412D+01 -0.967339D+00
      2   0.110292D+01  0.802530D+01  0.197867D+01  0.267905D+01  0.321086D+01
      3   0.132535D+01  0.458201D+01  0.938254D+00 -0.352365D+00 -0.621752D+00
                56            57            58            59            60 
      1  -0.114835D+01 -0.931741D+00  0.277929D+01  0.364269D+01  0.756903D+00
      2   0.127261D+01 -0.340366D+01  0.289850D+01 -0.763902D+01 -0.166120D+01
      3   0.614217D+00  0.700409D+00  0.860148D+01  0.620588D+01  0.787132D+01
                61            62            63            64            65 
      1   0.293238D+01  0.340385D+01 -0.210819D+01 -0.277814D+01  0.260751D+01
      2  -0.158135D+02 -0.664915D+01  0.378715D+01  0.231936D+01 -0.127406D+01
      3  -0.309391D+00  0.125128D+02  0.364150D+01  0.176854D+02 -0.800264D+01
                66            67            68            69            70 
      1   0.279701D+01  0.560579D-01 -0.238574D+01 -0.170515D+01 -0.998145D+00
      2   0.100366D+02  0.130161D+00  0.266409D+01  0.194859D+01  0.117282D+01
      3   0.508894D+01  0.269282D+01  0.365265D+01 -0.418552D+01  0.291427D+01
                71            72            73            74            75 
      1   0.694794D+01 -0.746066D+01  0.364628D+01 -0.306854D+01 -0.338739D+00
      2   0.497466D+01 -0.138598D+02 -0.132742D+02 -0.577360D+01  0.112737D+02
      3  -0.194574D+01 -0.512685D+01  0.302618D+00 -0.100203D+02  0.197162D+01
                76            77            78            79            80 
      1  -0.521449D+00 -0.138765D+01 -0.112028D+02 -0.140827D+01 -0.596499D+01
      2  -0.575796D+01  0.137544D+02  0.205622D+01  0.809813D+01  0.339589D+01
      3  -0.293088D+01  0.243768D+01 -0.141738D+02  0.969553D+00 -0.125658D+02
                81            82            83            84            85 
      1  -0.698091D+00  0.218112D+01  0.973314D+00  0.132893D+01 -0.449089D+00
      2   0.350479D-02 -0.449081D+01 -0.238204D+00  0.523470D+01 -0.105692D+01
      3  -0.175494D+01 -0.115956D+02 -0.475846D+01 -0.178557D+01 -0.994369D+00
                86            87            88            89            90 
      1  -0.360337D+00 -0.654403D+00 -0.145351D+00  0.134881D+00 -0.392912D-02
      2  -0.592970D+00  0.784228D+00  0.651573D+00  0.527696D-01  0.859262D+00
      3   0.993069D+00  0.979995D+00  0.118391D-01  0.713055D+00 -0.152460D+00
                91            92            93            94            95 
      1  -0.690944D+00 -0.679199D-01 -0.808341D+00 -0.976221D+00  0.591984D-01
      2   0.105570D+01  0.321919D+00  0.249558D+01 -0.779790D+00  0.383948D+01
      3  -0.330329D+01 -0.255958D+01 -0.337906D+00  0.346211D+01 -0.124333D+02
                96            97            98            99           100 
      1  -0.453153D+01 -0.849839D+00  0.443556D+00 -0.217413D+01  0.147260D+01
      2   0.368397D+01  0.658933D-01  0.306666D+01  0.293328D+01 -0.152869D+01
      3  -0.378336D+01  0.135268D+01 -0.602667D+01 -0.306106D+01  0.223249D+01
               101           102           103           104           105 
      1   0.134471D+01  0.262757D+00  0.465181D+00  0.783991D+01  0.363652D+01
      2  -0.100383D+01 -0.189264D+01 -0.174971D+01 -0.654537D+01 -0.797953D+01
      3   0.102788D+01  0.862507D-01  0.187349D+01  0.900624D+01  0.659095D+01
               106           107           108           109           110 
      1  -0.324098D+00  0.589551D+01  0.433059D+01 -0.157915D+01  0.228655D+01
      2  -0.248364D+01 -0.414495D+01 -0.821795D+01 -0.316346D+01  0.344484D+01
      3  -0.316441D+00  0.546748D+01  0.467063D+01 -0.424813D+01  0.431959D+01
               111           112           113           114           115 
      1   0.580721D+00  0.123428D+01 -0.525508D+01  0.633369D-01  0.262404D+00
      2  -0.350010D+01  0.386345D+01 -0.797692D+01  0.623739D+01 -0.350933D+01
      3  -0.239106D+01  0.543803D+01 -0.112374D+02  0.702593D+01 -0.158386D+01
               116           117           118           119           120 
      1   0.356266D+01  0.586800D-02 -0.122959D+01 -0.207664D+01 -0.140107D+01
      2   0.466217D+01 -0.621715D+01  0.103081D+02  0.125512D+01  0.656806D+01
      3   0.527377D+01 -0.484773D+01  0.338838D+01 -0.584867D+01  0.740561D-01
               121           122           123           124           125 
      1  -0.161694D+01 -0.487780D+00 -0.132912D+00 -0.810288D+00  0.106382D+01
      2   0.190077D+01 -0.378503D+00  0.937935D+00  0.106073D+01 -0.577435D-01
      3  -0.162951D+01 -0.163279D+01  0.170458D+01 -0.109591D+00  0.128133D+01
               126           127           128           129           130 
      1  -0.255470D+00  0.115808D+00  0.287157D+00 -0.145168D+01  0.115257D+00
      2   0.861653D+00 -0.176786D+01 -0.116527D+01  0.128586D+00 -0.171068D+01
      3   0.735381D+00  0.629800D+01  0.332901D+01  0.131103D+01  0.689054D+01
               131           132           133           134           135 
      1   0.790700D+00 -0.395992D+01  0.553830D+00  0.233504D+01 -0.573859D+00
      2  -0.230619D+01  0.480270D-01 -0.201270D+01 -0.641711D+00  0.104184D+00
      3   0.810358D+01  0.255990D+01  0.231198D+01  0.227484D+01  0.454631D+00
               136           137           138           139           140 
      1   0.181484D+00 -0.606211D+00  0.216346D+01  0.299568D+00  0.262154D+00
      2   0.677708D-02  0.120389D+00  0.279613D+01  0.937764D+00 -0.176792D+01
      3   0.148829D+01 -0.489431D+01 -0.334346D+00 -0.321037D+01  0.106745D+02
               141           142           143           144           145 
      1  -0.328382D+01 -0.978991D+00  0.169843D+01 -0.392350D+00 -0.144271D+00
      2  -0.336123D+01 -0.940103D+00  0.547064D+00 -0.473995D+00  0.117929D+01
      3   0.164794D+01 -0.105805D+01  0.260023D+01  0.242274D+00 -0.450103D+00
               146           147           148           149           150 
      1   0.372678D+00 -0.569270D+00  0.149018D-01  0.273309D-01 -0.477176D+00
      2  -0.129034D-01  0.606144D+01  0.179268D+01  0.374581D+00  0.837591D+00
      3  -0.537472D+01  0.873813D-01 -0.369575D+01 -0.127167D+01 -0.398474D+00
               151           152           153           154           155 
      1   0.410373D+00  0.555062D+00 -0.444268D-01 -0.208618D+00  0.137843D+00
      2  -0.288160D+01 -0.176523D+00  0.434624D+00  0.307132D+00  0.646466D+00
      3  -0.155794D+01 -0.769546D+00 -0.282607D-01 -0.716331D+00 -0.269744D+01
               156           157           158           159           160 
      1  -0.163295D+01 -0.245216D+00  0.483649D+00 -0.430970D+01  0.575184D+00
      2   0.170499D+01  0.603887D+00  0.313645D+01  0.336556D+01 -0.656597D+00
      3  -0.485897D+00 -0.115882D+01 -0.129499D+02 -0.286629D+01 -0.374139D+00
               161           162           163           164           165 
      1   0.204756D+01 -0.615082D+00  0.133638D+01 -0.826411D+00  0.229424D+01
      2   0.122612D+00  0.745806D+00  0.257898D+01 -0.926263D+00  0.794413D+00
      3  -0.343924D+01 -0.657336D+00 -0.115710D+02  0.358670D+01 -0.533896D+00
               166           167           168           169           170 
      1   0.788235D-01  0.630389D-01 -0.305303D+01  0.112200D+00  0.194708D+01
      2  -0.934390D+00  0.125240D+01 -0.103959D+01 -0.150064D+01  0.442993D+00
      3   0.656273D+01 -0.476958D+01 -0.131499D+01 -0.772519D+00 -0.116475D+01
               171           172           173           174           175 
      1  -0.960585D-01  0.264700D+00 -0.649214D+00 -0.300256D+01 -0.895786D-01
      2  -0.304341D+00  0.370646D+01  0.123954D+01 -0.597351D+01  0.430080D-01
      3  -0.333418D+00  0.110669D+01  0.155184D+01 -0.211496D+01  0.683284D+00
               176           177           178           179           180 
      1  -0.405724D+00 -0.302939D+01 -0.400680D+00  0.108139D+01  0.775476D+01
      2   0.109549D+01 -0.566346D+01 -0.407010D+01 -0.570394D+01  0.186499D+02
      3   0.278583D+01 -0.955820D+00 -0.171815D+01 -0.281819D+01  0.754059D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.759909D+01 -0.225460D+02 -0.350294D+01  0.222617D+02  0.114325D+02
      2  -0.706299D+01  0.149619D+02  0.796141D+00 -0.192183D+02 -0.139358D+02
      3  -0.536097D+00  0.758413D+01  0.270680D+01 -0.304344D+01  0.250337D+01
      4  -0.153566D+02 -0.531678D+01 -0.346598D+01  0.121190D+02 -0.556180D+00
      5  -0.652568D+01 -0.156783D+01 -0.270169D+01  0.274275D+00 -0.786766D+01
      6  -0.469695D+01 -0.116478D+01  0.469326D+01 -0.603667D+01 -0.121007D+02
                 6             7             8             9            10 
      1   0.381834D+01  0.532558D+01  0.871071D+00 -0.577467D+01 -0.390368D+00
      2  -0.777873D+01 -0.865655D+01 -0.938928D+01 -0.573062D+01 -0.488464D+00
      3   0.396038D+01  0.333097D+01  0.851821D+01  0.115053D+02  0.878832D+00
      4  -0.734272D+01 -0.301901D+01 -0.100743D+02  0.133766D+02  0.101726D+02
      5   0.114103D+02  0.130395D+02  0.135551D+02  0.105513D+02  0.346273D+01
      6   0.560079D+01  0.526405D+01  0.135124D+02  0.358362D+01  0.255098D+01
                11            12            13            14            15 
      1   0.180894D+02  0.501083D+01 -0.439610D+01  0.589350D+00  0.486024D+01
      2  -0.132378D+02  0.851169D+00  0.120441D+02 -0.336614D+01 -0.362971D+01
      3  -0.485156D+01 -0.586200D+01 -0.764796D+01  0.277678D+01 -0.123053D+01
      4  -0.117829D+02 -0.762797D+00  0.371182D+01  0.131358D+02  0.284461D+01
      5  -0.174205D+01 -0.271983D+01  0.380389D+01  0.267482D+01 -0.161001D+00
      6  -0.105165D+01 -0.691975D+01  0.868716D+01 -0.588774D+01  0.523327D+01
                16            17            18            19            20 
      1  -0.174906D+01  0.524560D+01 -0.140517D+02 -0.200876D+02 -0.296153D+01
      2   0.770819D+01 -0.751954D+01  0.161759D+01  0.546539D+01  0.268869D+01
      3  -0.595913D+01  0.227394D+01  0.124341D+02  0.146222D+02  0.272833D+00
      4   0.290188D+01  0.935321D+00  0.367054D+01  0.492053D+01  0.145094D+01
      5   0.308146D+01  0.243113D+01 -0.258091D+00 -0.882317D+01 -0.133821D+01
      6  -0.264775D+01  0.108232D+02  0.323896D+00 -0.406494D+01  0.408652D+00
                21            22            23            24            25 
      1  -0.371557D+01  0.120581D+01 -0.782746D+01 -0.132615D+01 -0.543534D+01
      2  -0.339057D+00 -0.330630D+01  0.138328D+02  0.808085D+01 -0.145611D+01
      3   0.405463D+01  0.210049D+01 -0.600537D+01 -0.675470D+01  0.689145D+01
      4  -0.793254D+00 -0.890633D+01 -0.207859D+01  0.144020D+01 -0.620934D+01
      5   0.119579D+00 -0.642042D+01  0.145257D+01 -0.371511D+00  0.609512D+01
      6   0.141867D+01 -0.290610D+01  0.608918D+01 -0.155548D+01  0.541922D-01
                26            27            28            29            30 
      1  -0.208050D+01 -0.821169D+01  0.126712D+02 -0.114822D+02 -0.444721D+00
      2   0.421135D+01 -0.294601D+01 -0.835189D+01  0.872748D+01 -0.172949D+01
      3  -0.213085D+01  0.111577D+02 -0.431929D+01  0.275472D+01  0.217421D+01
      4   0.235571D+01  0.149398D+01 -0.645465D+01 -0.192066D+02 -0.403427D+01
      5   0.111071D+01 -0.836258D+00  0.225685D+01 -0.289493D+01 -0.547565D+01
      6   0.740505D+01 -0.351855D+01 -0.179749D+01 -0.190039D+01  0.535956D+01
                31            32            33            34            35 
      1   0.490082D+00  0.706320D+01  0.511895D+01  0.240163D+01  0.381937D+01
      2  -0.864072D+01 -0.100284D+02 -0.830809D+01 -0.472654D+01 -0.112288D+02
      3   0.815064D+01  0.296519D+01  0.318915D+01  0.232490D+01  0.740947D+01
      4   0.111707D+02 -0.132865D+02 -0.236037D+01 -0.732211D+00 -0.296798D+01
      5  -0.555730D+00 -0.268734D+01 -0.106099D+01  0.348452D+01 -0.586241D+01
      6  -0.612329D+01 -0.109285D+02  0.376431D+01  0.136937D+01  0.122744D+02
                36            37            38            39            40 
      1  -0.156878D+02 -0.250072D+01  0.242139D+02  0.649781D+01 -0.287670D+02
      2  -0.738063D+00 -0.122712D+01 -0.156411D+02  0.511072D+00  0.267566D+02
      3   0.164259D+02  0.372784D+01 -0.857281D+01 -0.700888D+01  0.201035D+01
      4  -0.718779D+01  0.153961D+02  0.469539D+01  0.262946D+01  0.317069D+01
      5  -0.463489D+01 -0.660212D-01  0.733770D+00  0.588272D+01 -0.588731D+01
      6   0.475419D+01  0.617670D+00 -0.155662D+01 -0.780038D+01  0.861102D+01
                41            42            43            44            45 
      1   0.463042D+01  0.127392D+01 -0.953448D+01  0.437986D+01  0.235752D+01
      2  -0.725665D+01 -0.170557D+01  0.117495D+02 -0.877472D+01 -0.900864D+01
      3   0.262623D+01  0.431658D+00 -0.221500D+01  0.439486D+01  0.665112D+01
      4   0.796335D+01  0.109899D+02 -0.179977D+01  0.961684D+01 -0.138195D+02
      5   0.924815D+01 -0.129339D+02  0.197233D+02 -0.141170D+02 -0.110323D+02
      6  -0.771495D+01  0.479760D+01 -0.589385D+01  0.116939D+02 -0.279789D+00
                46            47            48            49            50 
      1  -0.871701D+01 -0.341462D+01 -0.540782D+01  0.100188D+02 -0.206143D+02
      2   0.525920D+01  0.269194D+01  0.175436D+01 -0.848419D+01  0.178040D+02
      3   0.345781D+01  0.722680D+00  0.365345D+01 -0.153463D+01  0.281031D+01
      4  -0.145573D+01  0.241102D+02  0.297419D+00 -0.205202D+02 -0.374549D+01
      5  -0.388583D+01 -0.243912D-01  0.207854D+02 -0.147698D+02 -0.129562D+01
      6   0.524546D+00  0.204765D+00  0.256535D+01 -0.344087D+01  0.490463D+01
                51            52            53            54            55 
      1  -0.895546D+01 -0.322132D+01 -0.939362D+01  0.133468D+02  0.108599D+02
      2   0.118925D+02 -0.986454D+00  0.654499D+01 -0.161406D+02 -0.260942D+01
      3  -0.293707D+01  0.420778D+01  0.284863D+01  0.279386D+01 -0.825043D+01
      4  -0.429195D+01 -0.152705D+02 -0.157136D+01  0.174022D+01  0.213213D+01
      5   0.198955D+01  0.354494D+02  0.291500D+01  0.583243D+01  0.640504D+01
      6  -0.416556D+01  0.120093D+01  0.711023D+01 -0.480248D+01  0.275942D+01
                56            57            58            59            60 
      1   0.519979D+00 -0.219078D+01  0.117543D+02  0.607560D+01  0.813707D+01
      2   0.341918D+01 -0.138379D+01 -0.796448D+01 -0.126068D+02 -0.173659D+02
      3  -0.393916D+01  0.357458D+01 -0.378977D+01  0.653116D+01  0.922881D+01
      4  -0.119119D+02  0.352633D+01 -0.130949D+02 -0.214229D+02 -0.178624D+02
      5   0.362693D+01 -0.167008D+02  0.181744D+02 -0.155104D+02 -0.594508D+00
      6  -0.723926D+00 -0.647795D+00 -0.587714D+01 -0.119084D+02 -0.642489D+01
                61            62            63            64            65 
      1   0.562601D+01  0.709664D+01 -0.592901D+01 -0.373700D+02  0.404484D+00
      2  -0.117183D+02 -0.344627D+01  0.755047D+01  0.253574D+02 -0.568711D+01
      3   0.609228D+01 -0.365037D+01 -0.162146D+01  0.120125D+02  0.528262D+01
      4   0.151585D+02 -0.199565D+02 -0.132166D+02 -0.145041D+01  0.145462D+02
      5  -0.299428D+02 -0.127325D+02  0.995565D+01 -0.170610D+02 -0.102888D+01
      6  -0.779223D+01 -0.103675D+02  0.331188D+01 -0.839969D+00  0.156469D+01
                66            67            68            69            70 
      1  -0.106083D+02 -0.111734D+02 -0.369384D+01 -0.359558D+01 -0.912392D+01
      2   0.873193D+00  0.299114D+01  0.138600D+02 -0.155915D+01  0.233748D+01
      3   0.973511D+01  0.818227D+01 -0.101661D+02  0.515473D+01  0.678644D+01
      4   0.130268D+01  0.177112D+02 -0.915444D+01  0.114762D+02 -0.124438D+01
      5   0.127570D+02 -0.107406D+02  0.101942D+02  0.505570D+00  0.114162D+02
      6  -0.354208D+01  0.623659D+01 -0.446777D+01  0.652511D+01 -0.160991D+01
                71            72            73            74            75 
      1   0.184073D+00  0.160670D+02 -0.560141D+02 -0.162973D+02  0.101233D+02
      2  -0.917278D+01  0.405403D-01  0.223974D+02  0.976562D+01 -0.995896D+00
      3   0.898870D+01 -0.161076D+02  0.336168D+02  0.653169D+01 -0.912744D+01
      4   0.453330D+01  0.221495D+01 -0.213033D+02  0.811163D+01 -0.311815D+01
      5   0.456468D+01 -0.158471D+02  0.137513D+02 -0.344622D+00  0.137512D+02
      6   0.460423D+01  0.873249D+01  0.404414D+01 -0.711460D+01  0.432346D+01
                76            77            78            79            80 
      1  -0.171828D+02  0.191171D+02 -0.431832D+01  0.453517D-01 -0.622083D+01
      2   0.912249D+01 -0.496564D+01  0.133716D+02  0.954754D+01  0.118916D+02
      3   0.806033D+01 -0.141515D+02 -0.905331D+01 -0.959289D+01 -0.567073D+01
      4   0.732139D+01  0.294628D+01  0.180367D+02 -0.956285D+01  0.131817D+02
      5  -0.396742D+01  0.134302D+02  0.871151D+01  0.258179D+02  0.114827D+02
      6  -0.391721D+01  0.369918D+01 -0.126816D+02  0.887914D+01 -0.799994D+01
                81            82            83            84            85 
      1   0.123996D+02  0.740295D+02 -0.276399D+01  0.103830D+02  0.410186D+01
      2  -0.130692D+02 -0.436776D+02  0.122193D+01 -0.941007D+01 -0.132714D+01
      3   0.669538D+00 -0.303519D+02  0.154206D+01 -0.972947D+00 -0.277472D+01
      4   0.118690D+02 -0.140594D+02  0.701904D+01 -0.388748D+01  0.527719D+01
      5  -0.150132D+02  0.300616D+02 -0.306841D+01  0.147028D+02 -0.108893D+01
      6  -0.603140D+01 -0.244682D+01  0.209256D+01 -0.251079D+01  0.182848D+01
                86            87            88            89            90 
      1   0.223653D+01 -0.205146D+01  0.311867D+01 -0.131706D+01  0.353471D+01
      2   0.403471D+00  0.155935D+01 -0.238855D+01  0.109465D+01 -0.354610D+01
      3  -0.264001D+01  0.492114D+00 -0.730114D+00  0.222408D+00  0.113907D-01
      4  -0.188768D+01  0.128218D+00 -0.243116D+01 -0.228388D+00 -0.134051D+01
      5   0.806753D-01 -0.663469D+00  0.910752D+01 -0.149027D+01  0.461568D+01
      6  -0.202089D+00  0.119389D+01 -0.137069D+01  0.104073D+01 -0.855198D+00
                91            92            93            94            95 
      1   0.116189D+01  0.232194D+01  0.188498D+01  0.595323D+00 -0.134086D+02
      2   0.176485D+01 -0.767249D-01  0.911572D-01  0.228774D+01  0.215772D+02
      3  -0.292674D+01 -0.224522D+01 -0.197614D+01 -0.288306D+01 -0.816857D+01
      4   0.713877D+01  0.116872D+02  0.290240D+01  0.107850D+02  0.296673D+02
      5   0.253650D+01  0.284526D+01  0.716065D+01  0.269771D+01  0.789731D+01
      6   0.405561D+01  0.182750D+01  0.106300D+01  0.291992D+01  0.162276D+02
                96            97            98            99           100 
      1  -0.512712D+01  0.407995D+00 -0.680508D+01 -0.530019D+01  0.386544D+01
      2   0.744646D+01  0.132818D+01  0.539720D+01  0.180029D+01 -0.242443D+01
      3  -0.231934D+01 -0.173618D+01  0.140788D+01  0.349990D+01 -0.144101D+01
      4   0.887974D+01  0.271260D+01  0.136445D+02  0.889432D+01 -0.588231D+00
      5   0.833926D+01  0.777006D+01  0.800028D+01  0.673087D+01 -0.221214D+01
      6   0.102503D+02  0.310751D+01  0.128262D+02  0.900506D+01  0.189525D+01
               101           102           103           104           105 
      1  -0.143861D+01 -0.513277D+01 -0.529004D+01 -0.768110D+01 -0.601612D+01
      2   0.598323D+00  0.239524D+00  0.380484D+01 -0.842733D-01 -0.669311D+01
      3   0.840291D+00  0.489324D+01  0.148520D+01  0.776537D+01  0.127092D+02
      4  -0.288005D+00  0.296034D+00  0.197654D+01 -0.159841D+02 -0.109577D+02
      5   0.154572D+01 -0.217260D+00  0.756208D+01 -0.912320D+01 -0.152998D+02
      6   0.164996D+01  0.603349D-01 -0.335783D+00  0.116793D+02  0.989447D+01
               106           107           108           109           110 
      1  -0.394259D+01 -0.397368D+01 -0.105121D+02 -0.104271D+01  0.945462D+01
      2   0.256184D+01 -0.518905D+01 -0.691041D+01  0.171119D+01 -0.650786D+01
      3   0.138075D+01  0.916273D+01  0.174225D+02 -0.668484D+00 -0.294676D+01
      4   0.866693D+00 -0.951540D+01 -0.810261D+01  0.177563D+01 -0.270101D+01
      5   0.438146D+01 -0.685447D+01 -0.138380D+02  0.332860D+00 -0.845816D-01
      6  -0.670769D+00  0.916060D+01  0.737545D+01 -0.354432D+01  0.641179D+01
               111           112           113           114           115 
      1  -0.808949D+01  0.947826D+01 -0.196521D+02  0.124977D+02 -0.419627D+01
      2   0.194118D+01 -0.540567D+01  0.168890D+02 -0.534553D+01  0.877642D+00
      3   0.614831D+01 -0.407259D+01  0.276307D+01 -0.715215D+01  0.331863D+01
      4   0.164635D+01  0.251345D+01  0.158637D+02 -0.102006D+02  0.185873D+00
      5  -0.272017D+01 -0.430052D+01 -0.756019D+01  0.780138D+01  0.215504D+01
      6  -0.537305D+01  0.204898D+01 -0.180904D+02  0.146902D+02 -0.235334D+01
               116           117           118           119           120 
      1   0.996182D+01 -0.134038D+02  0.829394D+02  0.105005D+02 -0.593907D+01
      2  -0.391798D+01  0.154263D+01 -0.414292D+02 -0.332981D+01  0.688326D+01
      3  -0.604383D+01  0.118612D+02 -0.415102D+02 -0.717065D+01 -0.944196D+00
      4  -0.733221D+01  0.510618D+01  0.252188D+02  0.145532D+02 -0.339839D+01
      5   0.438285D+01 -0.665277D+01 -0.296897D+02 -0.499692D+01  0.154097D+02
      6   0.127101D+02 -0.110290D+02 -0.510680D+01 -0.367685D+01  0.296621D+01
               121           122           123           124           125 
      1   0.984464D+01  0.550388D+01  0.302934D+00  0.454572D+01  0.877302D+00
      2  -0.289043D+01 -0.155723D+01 -0.372131D+00  0.253065D+00 -0.315818D+00
      3  -0.695421D+01 -0.394666D+01  0.691961D-01 -0.479878D+01 -0.561485D+00
      4   0.146641D+02  0.687800D+01 -0.325626D+01  0.168809D+01 -0.317092D+00
      5  -0.380532D+01 -0.424035D+01  0.193721D+01  0.820124D+01  0.610636D+00
      6  -0.269649D+01 -0.195337D+01  0.323065D+01  0.169061D+01  0.209456D+01
               126           127           128           129           130 
      1   0.458696D+01 -0.506433D+01 -0.844863D+01 -0.295721D+01 -0.749440D+01
      2  -0.332471D+01  0.620579D+01  0.993972D+01  0.216872D+01  0.895806D+01
      3  -0.126225D+01 -0.114146D+01 -0.149110D+01  0.788487D+00 -0.146367D+01
      4   0.129302D+01  0.348335D+01  0.685729D+01  0.142600D+01  0.503049D+01
      5  -0.110652D+01  0.113704D+01  0.128311D+01  0.184311D+01  0.109096D+01
      6  -0.676166D-02  0.260775D+01  0.399936D+01  0.256125D+01  0.322554D+01
               131           132           133           134           135 
      1  -0.311133D+02 -0.885181D+01 -0.227143D+01 -0.848979D+01 -0.320136D+01
      2   0.398513D+02  0.799343D+01  0.265900D+01  0.102353D+02  0.352020D+01
      3  -0.873799D+01  0.858371D+00 -0.387574D+00 -0.174547D+01 -0.318844D+00
      4  -0.692214D+00 -0.646604D+00  0.146391D+01 -0.107751D+00  0.127286D+01
      5  -0.669898D+00  0.595244D-01  0.976739D+00  0.525876D+00  0.699625D+00
      6   0.135967D+02  0.912443D+01  0.103860D+01  0.485096D+01  0.356490D+01
               136           137           138           139           140 
      1   0.211474D+02 -0.131504D+02 -0.270952D+01 -0.900220D+01  0.320890D+01
      2  -0.368770D+01 -0.128983D+01  0.807581D+00 -0.599052D+01  0.162587D+02
      3  -0.174597D+02  0.144402D+02  0.190194D+01  0.149927D+02 -0.194676D+02
      4  -0.321751D+02  0.297029D+02  0.472117D+01  0.330346D+02 -0.425855D+02
      5  -0.672922D+01  0.490230D+01  0.622588D+01  0.727744D+01 -0.853243D+01
      6   0.264714D+01 -0.238786D+01 -0.309484D+01 -0.462738D+01  0.645167D+01
               141           142           143           144           145 
      1   0.774662D+00 -0.108430D+01 -0.435275D-01 -0.135801D+00  0.981066D+02
      2   0.963729D+00 -0.145472D+01  0.332485D+01  0.106032D+01 -0.548759D+02
      3  -0.173839D+01  0.253902D+01 -0.328132D+01 -0.924520D+00 -0.432307D+02
      4  -0.807541D+01  0.637731D+01 -0.826803D+01 -0.265501D+01  0.128338D+02
      5  -0.613098D+01  0.222938D+01 -0.217715D+01 -0.147597D+01  0.952890D+01
      6   0.610552D+01 -0.162464D+01  0.235573D+01  0.202862D+01 -0.210546D+01
               146           147           148           149           150 
      1   0.827952D+01  0.632205D+01  0.702249D+01  0.913190D+01  0.213419D+01
      2  -0.402785D+01 -0.425601D+01 -0.311453D+01 -0.407370D+01 -0.181304D+01
      3  -0.425167D+01 -0.206603D+01 -0.390796D+01 -0.505819D+01 -0.321146D+00
      4   0.954488D+01  0.691685D+00  0.150488D+02  0.397884D+01  0.140787D+01
      5   0.647479D+00  0.101067D+02  0.416179D+01  0.152997D+01  0.139973D+01
      6   0.277400D+00  0.502883D+00  0.820603D+00 -0.101333D+00  0.161086D+01
               151           152           153           154           155 
      1   0.787939D+01  0.236027D+01  0.260011D+01  0.540935D+01  0.433466D+01
      2  -0.423007D+01 -0.127631D+01 -0.153318D+01  0.305055D+01  0.509348D+01
      3  -0.364931D+01 -0.108396D+01 -0.106693D+01 -0.845990D+01 -0.942814D+01
      4   0.448521D+01  0.160764D+01  0.697611D+00  0.182369D+02  0.228033D+02
      5   0.190603D+01  0.423593D+00  0.127919D+01  0.474158D+01  0.540591D+01
      6   0.723227D-01  0.519760D+00  0.576668D+00  0.360253D+01  0.426135D+01
               156           157           158           159           160 
      1   0.101144D+01 -0.808075D+00 -0.151147D+02 -0.383020D+01  0.183879D+00
      2   0.423439D+00  0.108294D+02  0.353830D+02  0.572097D+01  0.219064D+01
      3  -0.143488D+01 -0.100214D+02 -0.202683D+02 -0.189076D+01 -0.237452D+01
      4   0.554204D+01  0.239254D+02  0.448747D+02  0.106322D+02  0.654221D+01
      5   0.502643D+01  0.591055D+01  0.102902D+02  0.649078D+01  0.234686D+01
      6   0.295787D+01  0.582961D+01  0.138284D+02  0.942260D+01  0.224989D+01
               161           162           163           164           165 
      1  -0.324467D+01 -0.179182D+01 -0.306807D+01  0.682619D+01  0.150936D+01
      2   0.779016D+01  0.278257D+01  0.466961D+01 -0.950509D+01 -0.146750D+01
      3  -0.454549D+01 -0.990747D+00 -0.160153D+01  0.267891D+01 -0.418584D-01
      4   0.120089D+02  0.380000D+01 -0.889311D+01  0.723164D+01  0.550384D+00
      5   0.310855D+01  0.233458D+01  0.726218D+00  0.811125D+00  0.201515D+01
      6   0.483981D+01  0.356591D+01  0.357360D+00 -0.173961D+01 -0.242069D+01
               166           167           168           169           170 
      1   0.826349D+01 -0.195595D+02 -0.375745D+01  0.189354D+01 -0.370899D+01
      2  -0.106991D+02  0.260441D+02  0.309096D+01 -0.240934D+01  0.454166D+01
      3   0.243565D+01 -0.648454D+01  0.666490D+00  0.515796D+00 -0.832670D+00
      4   0.725179D+01 -0.790885D+01 -0.110024D+01  0.831676D+00 -0.119884D+01
      5   0.131616D+01 -0.118703D+01 -0.138016D+01  0.143372D+01 -0.700337D+00
      6  -0.276699D+01  0.528863D+01  0.506165D+01 -0.126263D+01  0.206343D+01
               171           172           173           174           175 
      1  -0.603562D+00 -0.315000D+01 -0.225785D+01  0.957889D+01 -0.101469D+01
      2   0.123555D+01 -0.239108D+00  0.102966D+00  0.142925D+01  0.430958D+00
      3  -0.631993D+00  0.338910D+01  0.215489D+01 -0.110081D+02  0.583732D+00
      4  -0.203902D+01  0.565876D+00 -0.203327D+01 -0.268031D+00  0.309796D+01
      5  -0.885477D+00  0.126977D+01  0.109284D+01 -0.553562D+01 -0.733264D+00
      6   0.137830D+01 -0.105966D+01 -0.138175D+01  0.383750D+01 -0.262304D+00
               176           177           178           179           180 
      1  -0.304004D+01  0.504261D+01  0.831919D+01  0.661268D+01 -0.234326D+02
      2   0.140222D+01  0.218917D+01 -0.399822D+01  0.132982D+01 -0.113461D+02
      3   0.163782D+01 -0.723178D+01 -0.432097D+01 -0.794250D+01  0.347787D+02
      4  -0.586750D+01  0.147640D+01 -0.294480D+01  0.365390D+01 -0.706822D+01
      5   0.187593D+01 -0.100484D+02  0.661599D+01 -0.903902D+01  0.307989D+02
      6  -0.260624D+01  0.803701D+01  0.437157D+00  0.755561D+01 -0.158741D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x         -0.281616D+00     -0.715797D+00     -0.238764D+01
   y         -0.309910D+00     -0.787713D+00     -0.262753D+01
   z         -0.276521D+00     -0.702847D+00     -0.234445D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.126371D+03      0.187263D+02      0.208358D+02
   yx         0.402625D+00      0.596629D-01      0.663839D-01
   yy         0.100540D+03      0.148985D+02      0.165768D+02
   zx         0.105230D+01      0.155934D+00      0.173500D+00
   zy         0.547514D+01      0.811332D+00      0.902728D+00
   zz         0.712755D+02      0.105619D+02      0.117517D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108026D+03      0.160078D+02      0.178110D+02
   aniso      0.492374D+02      0.729623D+01      0.811815D+01
   xx         0.135289D+03      0.200477D+02      0.223061D+02
   yx         0.137977D+00      0.204460D-01      0.227493D-01
   yy         0.109073D+03      0.161630D+02      0.179838D+02
   zx         0.121765D+01      0.180437D+00      0.200764D+00
   zy         0.580361D+01      0.860006D+00      0.956886D+00
   zz         0.797152D+02      0.118126D+02      0.131433D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.79743201         -0.66319326         -3.68063204
     6         -0.06957318         -1.16592580         -1.90546131
     6          0.00085436         -0.02782729          0.47048632
     6          1.98025051          1.61507087          1.02844964
     6          3.84809531          2.12727537         -0.74599001
     6          3.76079408          0.98799709         -3.10985099
     6         -2.07648581         -0.48288379          2.38707606
     7         -2.88154853         -3.13309871          2.32361648
     6         -4.36773455          1.19509392          1.84617470
     1         -4.28360296         -3.43799186          3.59120548
     1         -1.32070315          0.06463380          4.24415736
     1         -5.15308018          0.74474300         -0.00557251
     1         -3.83379570          3.18485701          1.87046587
     1         -5.83731753          0.90308897          3.26829073
     1          2.06207774          2.49797152          2.87523312
     1          5.37539950          3.40560907         -0.27783445
     1          5.21640434          1.37545879         -4.49381304
     1          1.72110966         -1.56341910         -5.51666398
     1         -1.59074908         -2.46191844         -2.33501284
     1         -1.42670246         -4.29498573          2.77272661

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.501813D+00      0.127548D+01      0.425455D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.501813D+00      0.127548D+01      0.425455D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993955D+02      0.147289D+02      0.163881D+02
   aniso      0.487170D+02      0.721911D+01      0.803234D+01
   xx         0.108018D+03      0.160066D+02      0.178098D+02
   yx         0.164280D+02      0.243438D+01      0.270861D+01
   yy         0.857230D+02      0.127028D+02      0.141338D+02
   zx        -0.183095D+02     -0.271318D+01     -0.301883D+01
   zy         0.652719D+01      0.967230D+00      0.107619D+01
   zz         0.104446D+03      0.154772D+02      0.172207D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108026D+03      0.160078D+02      0.178110D+02
   aniso      0.492374D+02      0.729623D+01      0.811815D+01
   xx         0.116794D+03      0.173072D+02      0.192568D+02
   yx         0.168555D+02      0.249773D+01      0.277910D+01
   yy         0.940689D+02      0.139396D+02      0.155099D+02
   zx        -0.182793D+02     -0.270872D+01     -0.301385D+01
   zy         0.636910D+01      0.943804D+00      0.105012D+01
   zz         0.113214D+03      0.167766D+02      0.186665D+02

 ----------------------------------------------------------------------
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 OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN.

                                    -- ARISTOTLE
 Job cpu time:       0 days  3 hours 23 minutes 33.5 seconds.
 Elapsed time:       0 days  0 hours 25 minutes 31.1 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:35:38 2021.
